####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_global
#=======================================================================

_audit_creation_method           'Jana2006 Version : 20/02/2023'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic    ?
_journal_date_to_coeditor        ?
_journal_date_from_coeditor      ?
_journal_date_accepted           ?
_journal_date_printers_first     ?
_journal_date_printers_final     ?
_journal_date_proofs_out         ?
_journal_date_proofs_in          ?
_journal_coeditor_name           ?
_journal_coeditor_code           ?
_journal_coeditor_notes          
; ?
;
_journal_techeditor_code         ?
_journal_paper_category          ?
_journal_techeditor_notes        
; ?
;
_journal_coden_ASTM              ?
_journal_name_full               ?
_journal_year                    ?
_journal_volume                  ?
_journal_issue                   ?
_journal_page_first              ?
_journal_page_last               ?
_journal_suppl_publ_number       ?
_journal_suppl_publ_pages        ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name        ?
_publ_contact_author_address     
; ?
;
_publ_contact_author_email       ?
_publ_contact_author_fax         ?
_publ_contact_author_phone       ?

_publ_requested_journal          ?
_publ_requested_category         ?

_publ_contact_letter             
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title              
; ?
;
_publ_section_title_footnote     
; ?
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis           
; ?
;
_publ_section_abstract           
; ?
;
_publ_section_comment            
; ?
;
_publ_section_introduction       
; ?
;
_publ_section_experimental       
; ?
;
_publ_section_exptl_prep         
; ?
;
_publ_section_exptl_refinement   
; ?
;
_publ_section_exptl_solution     
; ?
;
_publ_section_discussion         
; ?
;
_publ_section_acknowledgements   
; ?
;
_publ_section_references         
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions    
; ?
;
_publ_section_table_legends      
; ?
;

#=======================================================================
data_I
_database_code_depnum_ccdc_archive 'CCDC 2430600'
loop_
_audit_author_name
_audit_author_address
'Apostolos Pantousas'
;ESRF
France
;
_audit_update_record             
;
2025-05-19 deposited with the CCDC.	2025-06-27 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT027_I                   
;
PROBLEM: _diffrn_reflns_theta_full value (too) Low ......      13.48 Degree
RESPONSE: Measurement in Diamond anvil cell with 33 degree angle opening
;
# Added during the CSD deposition process: Monday 19 May 2025 08:49 AM
# end Validation Reply Form

# start Validation Reply Form
_vrf_PLAT029_I                   
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.450 Why?
RESPONSE: Measurement in Diamond anvil cell with 33 degree angle opening
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        'mP80 calcium carbonate'
_chemical_name_common            'calcium carbonate'
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'C1 Ca1 O3'
_chemical_formula_weight         100.1
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c 1 1'
_symmetry_space_group_name_Hall  '-P 2xca'
_symmetry_Int_Tables_number      14

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x+1/2,-y,-z+1/2
3 -x,-y,-z
4 -x+1/2,y,z+1/2

_cell_length_a                   3.2989(4)
_cell_length_b                   10.877(4)
_cell_length_c                   14.224(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.162(16)
_cell_angle_gamma                90
_cell_volume                     510.4(2)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
1 0.478 1 0 0 0 1 0 0 0 1
2 0.522 -1 0 0 0 -1 0 0 0 1

_cell_formula_units_Z            16

_cell_measurement_reflns_used    256
_cell_measurement_theta_min      4.47
_cell_measurement_theta_max      20.12
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    5.2102
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             800

_exptl_absorpt_coefficient_mu    0.922
_exptl_crystal_description       'grain in laser-heated diamond anvil cell'
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.015
_exptl_crystal_size_min          0.01
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.70a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.533
_exptl_absorpt_correction_T_max  1
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   synchrotron
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         ?
_diffrn_radiation_wavelength     0.41
_diffrn_radiation_monochromator  synchrotron
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  
'esperanto-CrysAlisPro-abstract goniometer imported esperanto images'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 13.3333
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            1399
_diffrn_reflns_theta_min         3.66
_diffrn_reflns_theta_max         20.89
_diffrn_reflns_theta_full        13.48
_diffrn_measured_fraction_theta_max 0.28
_diffrn_measured_fraction_theta_full 0.45
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_av_unetI/netI     0.0388
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          X-ray

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             787
_reflns_number_gt                288
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0391
_refine_ls_wR_factor_gt          0.0501
_refine_ls_R_factor_all          0.1014
_refine_ls_wR_factor_ref         0.0536
_refine_ls_goodness_of_fit_ref   1.51
_refine_ls_goodness_of_fit_gt    2.70
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         787
_refine_ls_number_parameters     101
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0485
_refine_ls_shift/su_mean         0.0150
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_extinction_expression ?
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C -0.0001 0.0005 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
Ca 0.0946 0.1044 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
O 0.0018 0.0018 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection       
'CrysAlisPro 1.171.43.70a (Rigaku OD, 2023) (IMPORT)'
_computing_cell_refinement       'CrysAlisPro 1.171.43.70a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.43.70a (Rigaku OD, 2023)'
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ca1 Ca -0.2899(11) -0.7501(4) -0.1643(2) Uani 0.0109(10) 4 1 d . . .
Ca2 Ca -0.2895(11) -0.2499(4) -0.6644(2) Uani 0.0116(10) 4 1 d . . .
Ca3 Ca -0.7077(9) -0.9999(4) -0.08550(18) Uani 0.0100(9) 4 1 d . . .
Ca4 Ca -0.7057(9) -0.5002(4) -0.58473(19) Uani 0.0102(9) 4 1 d . . .
O1 O -0.792(2) -0.6359(13) -0.1941(8) Uiso 0.0116(18) 4 1 d . . .
O2 O -0.786(2) -0.1351(14) -0.6935(10) Uiso 0.020(2) 4 1 d . . .
O3 O -0.295(2) -0.6100(12) -0.0575(8) Uiso 0.0094(16) 4 1 d . . .
O4 O -0.298(2) -0.1112(11) -0.5584(7) Uiso 0.0063(14) 4 1 d . . .
O5 O -0.773(2) -0.8637(12) -0.1926(8) Uiso 0.0114(17) 4 1 d . . .
O6 O -0.772(2) -0.3617(11) -0.6934(8) Uiso 0.0101(16) 4 1 d . . .
O7 O -0.221(2) -0.8885(11) -0.0560(8) Uiso 0.0113(18) 4 1 d . . .
O8 O -0.217(2) -0.3917(9) -0.5572(7) Uiso 0.0057(15) 4 1 d . . .
O9 O -0.263(2) -0.5029(12) -0.1964(6) Uiso 0.0058(12) 4 1 d . . .
O10 O -0.263(2) -0.0043(11) -0.6955(6) Uiso 0.0040(11) 4 1 d . . .
O11 O -0.758(3) -0.7514(15) -0.0548(8) Uiso 0.0124(15) 4 1 d . . .
O12 O -0.756(3) -0.2483(16) -0.5564(9) Uiso 0.0147(16) 4 1 d . . .
C1 C -0.014(3) -0.5736(10) -0.2527(7) Uiso 0.0012(14) 4 1 d . . .
C2 C 0.007(3) -0.0795(13) -0.7455(10) Uiso 0.019(2) 4 1 d . . .
C3 C -0.493(4) -0.3207(15) -0.0006(13) Uiso 0.016(2) 4 1 d . . .
C4 C -0.487(3) -0.8193(13) -0.5026(10) Uiso 0.009(2) 4 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ca1 Ca1 . 1_455 3.299(5) ?
Ca1 Ca1 . 1_655 3.299(5) ?
Ca1 Ca2 . 3_444 2.800(5) ?
Ca1 Ca2 . 3_544 3.101(5) ?
Ca1 Ca3 . . 3.247(6) ?
Ca1 Ca3 . 1_655 3.509(5) ?
Ca1 Ca3 . 2_534 4.487(5) ?
Ca1 Ca3 . 3_435 4.474(5) ?
Ca1 Ca4 . 2_544 4.476(5) ?
Ca1 Ca4 . 3_444 4.489(5) ?
Ca1 Ca4 . 4_355 3.384(5) ?
Ca1 Ca4 . 4_455 3.367(5) ?
Ca1 O1 . . 2.113(11) ?
Ca1 O1 . 1_655 2.103(11) ?
Ca1 O2 . 3_444 2.389(15) ?
Ca1 O3 . . 2.153(13) ?
Ca1 O5 . . 2.055(11) ?
Ca1 O5 . 1_655 2.144(11) ?
Ca1 O6 . 3_444 2.371(12) ?
Ca1 O7 . . 2.166(12) ?
Ca1 O11 . . 2.196(11) ?
Ca1 O11 . 1_655 2.344(11) ?
Ca1 C1 . . 2.470(11) ?
Ca1 C2 . 3_544 2.440(14) ?
Ca1 C3 . 3_445 2.573(18) ?
Ca1 C4 . 4_455 2.586(14) ?
Ca2 Ca2 . 1_455 3.299(5) ?
Ca2 Ca2 . 1_655 3.299(5) ?
Ca2 Ca3 . 2_544 4.482(5) ?
Ca2 Ca3 . 3_444 4.476(5) ?
Ca2 Ca3 . 4_364 3.379(6) ?
Ca2 Ca3 . 4_464 3.367(6) ?
Ca2 Ca4 . . 3.254(6) ?
Ca2 Ca4 . 1_655 3.521(6) ?
Ca2 Ca4 . 2_543 4.495(5) ?
Ca2 Ca4 . 3_444 4.467(5) ?
Ca2 O1 . 3_444 2.381(13) ?
Ca2 O2 . . 2.099(12) ?
Ca2 O2 . 1_655 2.120(12) ?
Ca2 O4 . . 2.134(12) ?
Ca2 O5 . 3_444 2.390(13) ?
Ca2 O6 . . 2.044(10) ?
Ca2 O6 . 1_655 2.138(10) ?
Ca2 O8 . . 2.182(11) ?
Ca2 O12 . . 2.179(11) ?
Ca2 O12 . 1_655 2.333(11) ?
Ca2 C1 . 3_544 2.467(11) ?
Ca2 C2 . . 2.394(14) ?
Ca2 C3 . 4_454 2.623(18) ?
Ca2 C4 . 3_444 2.600(14) ?
Ca3 Ca3 . 1_455 3.299(4) ?
Ca3 Ca3 . 1_655 3.299(4) ?
Ca3 Ca3 . 3_335 3.108(4) ?
Ca3 Ca3 . 3_435 2.788(4) ?
Ca3 O2 . 4_345 2.127(15) ?
Ca3 O4 . 2_444 2.396(11) ?
Ca3 O4 . 4_345 2.069(9) ?
Ca3 O4 . 4_445 2.096(9) ?
Ca3 O5 . . 2.135(13) ?
Ca3 O7 . 1_455 2.124(10) ?
Ca3 O7 . . 2.054(10) ?
Ca3 O7 . 3_435 2.363(12) ?
Ca3 O10 . 4_345 2.342(8) ?
Ca3 O10 . 4_445 2.208(8) ?
Ca3 C2 . 3_444 2.737(15) ?
Ca3 C2 . 4_445 2.524(15) ?
Ca3 C4 . 2_434 2.509(14) ?
Ca3 C4 . 4_355 2.504(14) ?
Ca4 Ca4 . 1_455 3.299(4) ?
Ca4 Ca4 . 1_655 3.299(4) ?
Ca4 Ca4 . 3_344 3.100(4) ?
Ca4 Ca4 . 3_444 2.763(4) ?
Ca4 O1 . 4_354 2.144(13) ?
Ca4 O3 . 2_444 2.370(12) ?
Ca4 O3 . 4_354 2.072(10) ?
Ca4 O3 . 4_454 2.074(10) ?
Ca4 O6 . . 2.169(12) ?
Ca4 O8 . 1_455 2.097(9) ?
Ca4 O8 . . 2.034(9) ?
Ca4 O8 . 3_444 2.350(10) ?
Ca4 O9 . 4_354 2.363(8) ?
Ca4 O9 . 4_454 2.220(8) ?
Ca4 C1 . 3_444 2.615(11) ?
Ca4 C1 . 4_454 2.622(11) ?
Ca4 C3 . 2_444 2.485(17) ?
Ca4 C3 . 4_354 2.497(17) ?
O1 C1 . 1_455 1.298(15) ?
O2 C2 . 1_455 1.173(19) ?
O3 C3 . 3_445 1.32(2) ?
O4 C4 . 3_444 1.352(17) ?
O5 C2 . 3_444 1.324(17) ?
O6 C1 . 3_444 1.258(15) ?
O7 C4 . 4_455 1.270(17) ?
O8 C3 . 4_454 1.313(19) ?
O9 C1 . . 1.383(14) ?
O9 C1 . 2_444 1.377(14) ?
O10 C2 . . 1.405(16) ?
O10 C2 . 2_453 1.451(17) ?
O11 C3 . 3_445 1.39(2) ?
O11 C4 . 4_355 1.345(18) ?
O12 C3 . 4_354 1.39(2) ?
O12 C4 . 3_444 1.373(18) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Ca1 Ca1 Ca1 1_455 . 1_655 180 ?
Ca1 Ca1 Ca2 1_455 . 3_444 60.46(11) ?
Ca1 Ca1 Ca2 1_455 . 3_544 128.22(13) ?
Ca1 Ca1 Ca3 1_455 . . 64.82(11) ?
Ca1 Ca1 Ca3 1_455 . 1_655 123.12(14) ?
Ca1 Ca1 Ca3 1_455 . 2_534 93.59(10) ?
Ca1 Ca1 Ca3 1_455 . 3_435 89.77(10) ?
Ca1 Ca1 Ca4 1_455 . 2_544 93.43(10) ?
Ca1 Ca1 Ca4 1_455 . 3_444 89.94(10) ?
Ca1 Ca1 Ca4 1_455 . 4_355 60.49(11) ?
Ca1 Ca1 Ca4 1_455 . 4_455 118.99(14) ?
Ca1 Ca1 O1 1_455 . . 38.4(3) ?
Ca1 Ca1 O1 1_455 . 1_655 141.4(4) ?
Ca1 Ca1 O2 1_455 . 3_444 96.1(2) ?
Ca1 Ca1 O3 1_455 . . 89.4(2) ?
Ca1 Ca1 O5 1_455 . . 39.2(3) ?
Ca1 Ca1 O5 1_455 . 1_655 142.7(3) ?
Ca1 Ca1 O6 1_455 . 3_444 95.1(2) ?
Ca1 Ca1 O7 1_455 . . 95.9(3) ?
Ca1 Ca1 O11 1_455 . . 45.2(3) ?
Ca1 Ca1 O11 1_455 . 1_655 138.3(3) ?
Ca1 Ca1 C1 1_455 . . 111.7(2) ?
Ca1 Ca1 C2 1_455 . 3_544 112.5(3) ?
Ca1 Ca1 C3 1_455 . 3_445 73.7(3) ?
Ca1 Ca1 C4 1_455 . 4_455 110.6(3) ?
Ca1 Ca1 Ca2 1_655 . 3_444 119.54(13) ?
Ca1 Ca1 Ca2 1_655 . 3_544 51.78(10) ?
Ca1 Ca1 Ca3 1_655 . . 115.18(14) ?
Ca1 Ca1 Ca3 1_655 . 1_655 56.88(10) ?
Ca1 Ca1 Ca3 1_655 . 2_534 86.41(10) ?
Ca1 Ca1 Ca3 1_655 . 3_435 90.23(10) ?
Ca1 Ca1 Ca4 1_655 . 2_544 86.57(10) ?
Ca1 Ca1 Ca4 1_655 . 3_444 90.06(10) ?
Ca1 Ca1 Ca4 1_655 . 4_355 119.51(14) ?
Ca1 Ca1 Ca4 1_655 . 4_455 61.01(11) ?
Ca1 Ca1 O1 1_655 . . 141.6(4) ?
Ca1 Ca1 O1 1_655 . 1_655 38.6(3) ?
Ca1 Ca1 O2 1_655 . 3_444 83.9(2) ?
Ca1 Ca1 O3 1_655 . . 90.6(2) ?
Ca1 Ca1 O5 1_655 . . 140.8(4) ?
Ca1 Ca1 O5 1_655 . 1_655 37.3(3) ?
Ca1 Ca1 O6 1_655 . 3_444 84.9(2) ?
Ca1 Ca1 O7 1_655 . . 84.1(2) ?
Ca1 Ca1 O11 1_655 . . 134.8(3) ?
Ca1 Ca1 O11 1_655 . 1_655 41.7(3) ?
Ca1 Ca1 C1 1_655 . . 68.3(2) ?
Ca1 Ca1 C2 1_655 . 3_544 67.5(3) ?
Ca1 Ca1 C3 1_655 . 3_445 106.3(3) ?
Ca1 Ca1 C4 1_655 . 4_455 69.4(3) ?
Ca2 Ca1 Ca2 3_444 . 3_544 67.77(12) ?
Ca2 Ca1 Ca3 3_444 . . 95.20(14) ?
Ca2 Ca1 Ca3 3_444 . 1_655 123.20(15) ?
Ca2 Ca1 Ca3 3_444 . 2_534 48.78(10) ?
Ca2 Ca1 Ca3 3_444 . 3_435 133.55(15) ?
Ca2 Ca1 Ca4 3_444 . 2_544 135.89(15) ?
Ca2 Ca1 Ca4 3_444 . 3_444 46.19(10) ?
Ca2 Ca1 Ca4 3_444 . 4_355 92.76(14) ?
Ca2 Ca1 Ca4 3_444 . 4_455 122.10(16) ?
Ca2 Ca1 O1 3_444 . . 55.9(4) ?
Ca2 Ca1 O1 3_444 . 1_655 102.1(3) ?
Ca2 Ca1 O2 3_444 . 3_444 46.9(3) ?
Ca2 Ca1 O3 3_444 . . 127.5(3) ?
Ca2 Ca1 O5 3_444 . . 56.5(4) ?
Ca2 Ca1 O5 3_444 . 1_655 103.3(3) ?
Ca2 Ca1 O6 3_444 . 3_444 45.6(3) ?
Ca2 Ca1 O7 3_444 . . 132.1(3) ?
Ca2 Ca1 O11 3_444 . . 105.6(3) ?
Ca2 Ca1 O11 3_444 . 1_655 161.2(3) ?
Ca2 Ca1 C1 3_444 . . 74.9(3) ?
Ca2 Ca1 C2 3_444 . 3_544 74.4(3) ?
Ca2 Ca1 C3 3_444 . 3_445 130.9(3) ?
Ca2 Ca1 C4 3_444 . 4_455 161.3(3) ?
Ca2 Ca1 Ca3 3_544 . . 122.32(15) ?
Ca2 Ca1 Ca3 3_544 . 1_655 85.01(12) ?
Ca2 Ca1 Ca3 3_544 . 2_534 48.57(10) ?
Ca2 Ca1 Ca3 3_544 . 3_435 128.79(13) ?
Ca2 Ca1 Ca4 3_544 . 2_544 125.79(13) ?
Ca2 Ca1 Ca4 3_544 . 3_444 51.39(10) ?
Ca2 Ca1 Ca4 3_544 . 4_355 124.58(15) ?
Ca2 Ca1 Ca4 3_544 . 4_455 87.95(12) ?
Ca2 Ca1 O1 3_544 . . 109.1(3) ?
Ca2 Ca1 O1 3_544 . 1_655 50.1(4) ?
Ca2 Ca1 O2 3_544 . 3_444 43.1(3) ?
Ca2 Ca1 O3 3_544 . . 124.1(3) ?
Ca2 Ca1 O5 3_544 . . 109.0(4) ?
Ca2 Ca1 O5 3_544 . 1_655 50.3(3) ?
Ca2 Ca1 O6 3_544 . 3_444 43.5(2) ?
Ca2 Ca1 O7 3_544 . . 119.7(3) ?
Ca2 Ca1 O11 3_544 . . 173.4(3) ?
Ca2 Ca1 O11 3_544 . 1_655 93.4(3) ?
Ca2 Ca1 C1 3_544 . . 51.0(3) ?
Ca2 Ca1 C2 3_544 . 3_544 49.5(3) ?
Ca2 Ca1 C3 3_544 . 3_445 152.9(4) ?
Ca2 Ca1 C4 3_544 . 4_455 118.8(3) ?
Ca3 Ca1 Ca3 . . 1_655 58.30(10) ?
Ca3 Ca1 Ca3 . . 2_534 78.09(10) ?
Ca3 Ca1 Ca3 . . 3_435 38.35(7) ?
Ca3 Ca1 Ca4 . . 2_544 105.13(10) ?
Ca3 Ca1 Ca4 . . 3_444 141.40(11) ?
Ca3 Ca1 Ca4 . . 4_355 110.30(12) ?
Ca3 Ca1 Ca4 . . 4_455 139.95(12) ?
Ca3 Ca1 O1 . . . 103.2(3) ?
Ca3 Ca1 O1 . . 1_655 153.6(4) ?
Ca3 Ca1 O2 . . 3_444 84.3(4) ?
Ca3 Ca1 O3 . . . 110.2(3) ?
Ca3 Ca1 O5 . . . 40.1(3) ?
Ca3 Ca1 O5 . . 1_655 85.5(3) ?
Ca3 Ca1 O6 . . 3_444 139.6(3) ?
Ca3 Ca1 O7 . . . 38.5(3) ?
Ca3 Ca1 O11 . . . 56.6(4) ?
Ca3 Ca1 O11 . . 1_655 94.8(4) ?
Ca3 Ca1 C1 . . . 169.5(3) ?
Ca3 Ca1 C2 . . 3_544 73.1(3) ?
Ca3 Ca1 C3 . . 3_445 79.4(4) ?
Ca3 Ca1 C4 . . 4_455 66.3(3) ?
Ca3 Ca1 Ca3 1_655 . 2_534 75.53(10) ?
Ca3 Ca1 Ca3 1_655 . 3_435 43.78(7) ?
Ca3 Ca1 Ca4 1_655 . 2_544 100.68(10) ?
Ca3 Ca1 Ca4 1_655 . 3_444 136.40(11) ?
Ca3 Ca1 Ca4 1_655 . 4_355 141.64(11) ?
Ca3 Ca1 Ca4 1_655 . 4_455 104.65(12) ?
Ca3 Ca1 O1 1_655 . . 161.3(3) ?
Ca3 Ca1 O1 1_655 . 1_655 95.4(3) ?
Ca3 Ca1 O2 1_655 . 3_444 78.9(3) ?
Ca3 Ca1 O3 1_655 . . 109.1(3) ?
Ca3 Ca1 O5 1_655 . . 91.2(4) ?
Ca3 Ca1 O5 1_655 . 1_655 34.8(3) ?
Ca3 Ca1 O6 1_655 . 3_444 128.5(3) ?
Ca3 Ca1 O7 1_655 . . 34.7(3) ?
Ca3 Ca1 O11 1_655 . . 98.8(4) ?
Ca3 Ca1 O11 1_655 . 1_655 51.3(4) ?
Ca3 Ca1 C1 1_655 . . 124.2(2) ?
Ca3 Ca1 C2 1_655 . 3_544 51.0(3) ?
Ca3 Ca1 C3 1_655 . 3_445 95.4(4) ?
Ca3 Ca1 C4 1_655 . 4_455 45.5(3) ?
Ca3 Ca1 Ca3 2_534 . 3_435 105.18(11) ?
Ca3 Ca1 Ca4 2_534 . 2_544 172.98(10) ?
Ca3 Ca1 Ca4 2_534 . 3_444 74.76(8) ?
Ca3 Ca1 Ca4 2_534 . 4_355 141.53(11) ?
Ca3 Ca1 Ca4 2_534 . 4_455 136.52(11) ?
Ca3 Ca1 O1 2_534 . . 104.3(4) ?
Ca3 Ca1 O1 2_534 . 1_655 98.6(4) ?
Ca3 Ca1 O2 2_534 . 3_444 6.2(3) ?
Ca3 Ca1 O3 2_534 . . 171.7(3) ?
Ca3 Ca1 O5 2_534 . . 61.9(3) ?
Ca3 Ca1 O5 2_534 . 1_655 56.8(3) ?
Ca3 Ca1 O6 2_534 . 3_444 68.2(3) ?
Ca3 Ca1 O7 2_534 . . 97.9(3) ?
Ca3 Ca1 O11 2_534 . . 127.1(4) ?
Ca3 Ca1 O11 2_534 . 1_655 118.5(4) ?
Ca3 Ca1 C1 2_534 . . 92.6(3) ?
Ca3 Ca1 C2 2_534 . 3_544 25.7(3) ?
Ca3 Ca1 C3 2_534 . 3_445 157.3(4) ?
Ca3 Ca1 C4 2_534 . 4_455 120.5(3) ?
Ca3 Ca1 Ca4 3_435 . 2_544 75.01(8) ?
Ca3 Ca1 Ca4 3_435 . 3_444 179.70(10) ?
Ca3 Ca1 Ca4 3_435 . 4_355 102.74(10) ?
Ca3 Ca1 Ca4 3_435 . 4_455 103.03(10) ?
Ca3 Ca1 O1 3_435 . . 120.9(3) ?
Ca3 Ca1 O1 3_435 . 1_655 121.5(3) ?
Ca3 Ca1 O2 3_435 . 3_444 110.8(4) ?
Ca3 Ca1 O3 3_435 . . 82.5(3) ?
Ca3 Ca1 O5 3_435 . . 77.7(4) ?
Ca3 Ca1 O5 3_435 . 1_655 78.6(3) ?
Ca3 Ca1 O6 3_435 . 3_444 172.0(3) ?
Ca3 Ca1 O7 3_435 . . 9.2(3) ?
Ca3 Ca1 O11 3_435 . . 55.2(4) ?
Ca3 Ca1 O11 3_435 . 1_655 58.1(3) ?
Ca3 Ca1 C1 3_435 . . 151.4(3) ?
Ca3 Ca1 C2 3_435 . 3_544 87.6(4) ?
Ca3 Ca1 C3 3_435 . 3_445 57.1(4) ?
Ca3 Ca1 C4 3_435 . 4_455 28.1(3) ?
Ca4 Ca1 Ca4 2_544 . 3_444 105.09(11) ?
Ca4 Ca1 Ca4 2_544 . 4_355 43.61(7) ?
Ca4 Ca1 Ca4 2_544 . 4_455 38.16(7) ?
Ca4 Ca1 O1 2_544 . . 81.2(4) ?
Ca4 Ca1 O1 2_544 . 1_655 75.7(4) ?
Ca4 Ca1 O2 2_544 . 3_444 168.8(3) ?
Ca4 Ca1 O3 2_544 . . 8.5(3) ?
Ca4 Ca1 O5 2_544 . . 124.5(3) ?
Ca4 Ca1 O5 2_544 . 1_655 116.8(3) ?
Ca4 Ca1 O6 2_544 . 3_444 111.0(3) ?
Ca4 Ca1 O7 2_544 . . 81.6(3) ?
Ca4 Ca1 O11 2_544 . . 59.0(4) ?
Ca4 Ca1 O11 2_544 . 1_655 55.5(4) ?
Ca4 Ca1 C1 2_544 . . 84.7(3) ?
Ca4 Ca1 C2 2_544 . 3_544 148.8(3) ?
Ca4 Ca1 C3 2_544 . 3_445 27.5(3) ?
Ca4 Ca1 C4 2_544 . 4_455 56.7(3) ?
Ca4 Ca1 Ca4 3_444 . 4_355 77.19(10) ?
Ca4 Ca1 Ca4 3_444 . 4_455 77.18(10) ?
Ca4 Ca1 O1 3_444 . . 58.9(3) ?
Ca4 Ca1 O1 3_444 . 1_655 58.8(3) ?
Ca4 Ca1 O2 3_444 . 3_444 69.2(4) ?
Ca4 Ca1 O3 3_444 . . 97.6(3) ?
Ca4 Ca1 O5 3_444 . . 102.0(4) ?
Ca4 Ca1 O5 3_444 . 1_655 101.6(3) ?
Ca4 Ca1 O6 3_444 . 3_444 8.1(3) ?
Ca4 Ca1 O7 3_444 . . 170.9(3) ?
Ca4 Ca1 O11 3_444 . . 124.5(4) ?
Ca4 Ca1 O11 3_444 . 1_655 122.2(4) ?
Ca4 Ca1 C1 3_444 . . 28.9(2) ?
Ca4 Ca1 C2 3_444 . 3_544 92.5(4) ?
Ca4 Ca1 C3 3_444 . 3_445 122.9(4) ?
Ca4 Ca1 C4 3_444 . 4_455 152.2(3) ?
Ca4 Ca1 Ca4 4_355 . 4_455 58.50(10) ?
Ca4 Ca1 O1 4_355 . . 37.7(3) ?
Ca4 Ca1 O1 4_355 . 1_655 88.7(4) ?
Ca4 Ca1 O2 4_355 . 3_444 139.0(3) ?
Ca4 Ca1 O3 4_355 . . 35.9(3) ?
Ca4 Ca1 O5 4_355 . . 99.6(3) ?
Ca4 Ca1 O5 4_355 . 1_655 156.5(3) ?
Ca4 Ca1 O6 4_355 . 3_444 85.2(3) ?
Ca4 Ca1 O7 4_355 . . 111.8(3) ?
Ca4 Ca1 O11 4_355 . . 54.6(4) ?
Ca4 Ca1 O11 4_355 . 1_655 98.7(4) ?
Ca4 Ca1 C1 4_355 . . 74.2(3) ?
Ca4 Ca1 C2 4_355 . 3_544 167.1(4) ?
Ca4 Ca1 C3 4_355 . 3_445 46.8(4) ?
Ca4 Ca1 C4 4_355 . 4_455 96.3(3) ?
Ca4 Ca1 O1 4_455 . . 88.4(4) ?
Ca4 Ca1 O1 4_455 . 1_655 38.0(3) ?
Ca4 Ca1 O2 4_455 . 3_444 130.9(3) ?
Ca4 Ca1 O3 4_455 . . 36.4(3) ?
Ca4 Ca1 O5 4_455 . . 157.9(3) ?
Ca4 Ca1 O5 4_455 . 1_655 98.2(3) ?
Ca4 Ca1 O6 4_455 . 3_444 80.2(3) ?
Ca4 Ca1 O7 4_455 . . 105.8(3) ?
Ca4 Ca1 O11 4_455 . . 96.2(4) ?
Ca4 Ca1 O11 4_455 . 1_655 54.5(4) ?
Ca4 Ca1 C1 4_455 . . 50.5(3) ?
Ca4 Ca1 C2 4_455 . 3_544 127.2(3) ?
Ca4 Ca1 C3 4_455 . 3_445 65.6(3) ?
Ca4 Ca1 C4 4_455 . 4_455 76.4(3) ?
O1 Ca1 O1 . . 1_655 103.0(5) ?
O1 Ca1 O2 . . 3_444 102.8(4) ?
O1 Ca1 O3 . . . 73.6(4) ?
O1 Ca1 O5 . . . 73.0(5) ?
O1 Ca1 O5 . . 1_655 157.6(5) ?
O1 Ca1 O6 . . 3_444 66.2(4) ?
O1 Ca1 O7 . . . 129.2(4) ?
O1 Ca1 O11 . . . 66.0(5) ?
O1 Ca1 O11 . . 1_655 136.2(5) ?
O1 Ca1 C1 . . . 74.4(4) ?
O1 Ca1 C2 . . 3_544 129.9(5) ?
O1 Ca1 C3 . . 3_445 77.7(5) ?
O1 Ca1 C4 . . 4_455 128.6(4) ?
O1 Ca1 O2 1_655 . 3_444 93.2(4) ?
O1 Ca1 O3 1_655 . . 74.4(4) ?
O1 Ca1 O5 1_655 . . 157.1(5) ?
O1 Ca1 O5 1_655 . 1_655 71.4(5) ?
O1 Ca1 O6 1_655 . 3_444 57.1(4) ?
O1 Ca1 O7 1_655 . . 118.2(4) ?
O1 Ca1 O11 1_655 . . 134.2(5) ?
O1 Ca1 O11 1_655 . 1_655 63.5(5) ?
O1 Ca1 C1 1_655 . . 31.7(4) ?
O1 Ca1 C2 1_655 . 3_544 92.5(5) ?
O1 Ca1 C3 1_655 . 3_445 103.0(5) ?
O1 Ca1 C4 1_655 . 4_455 94.4(4) ?
O2 Ca1 O3 3_444 . . 165.5(5) ?
O2 Ca1 O5 3_444 . . 66.6(4) ?
O2 Ca1 O5 3_444 . 1_655 57.0(4) ?
O2 Ca1 O6 3_444 . 3_444 62.4(5) ?
O2 Ca1 O7 3_444 . . 103.2(5) ?
O2 Ca1 O11 3_444 . . 132.2(5) ?
O2 Ca1 O11 3_444 . 1_655 118.6(4) ?
O2 Ca1 C1 3_444 . . 86.3(4) ?
O2 Ca1 C2 3_444 . 3_544 28.1(5) ?
O2 Ca1 C3 3_444 . 3_445 163.3(5) ?
O2 Ca1 C4 3_444 . 4_455 124.3(5) ?
O3 Ca1 O5 . . . 123.8(4) ?
O3 Ca1 O5 . . 1_655 123.2(4) ?
O3 Ca1 O6 . . 3_444 103.9(5) ?
O3 Ca1 O7 . . . 89.5(5) ?
O3 Ca1 O11 . . . 59.8(5) ?
O3 Ca1 O11 . . 1_655 62.8(4) ?
O3 Ca1 C1 . . . 79.2(4) ?
O3 Ca1 C2 . . 3_544 155.9(4) ?
O3 Ca1 C3 . . 3_445 30.8(5) ?
O3 Ca1 C4 . . 4_455 65.2(4) ?
O5 Ca1 O5 . . 1_655 103.5(5) ?
O5 Ca1 O6 . . 3_444 102.1(4) ?
O5 Ca1 O7 . . . 78.5(4) ?
O5 Ca1 O11 . . . 65.7(5) ?
O5 Ca1 O11 . . 1_655 134.9(5) ?
O5 Ca1 C1 . . . 130.9(4) ?
O5 Ca1 C2 . . 3_544 74.8(4) ?
O5 Ca1 C3 . . 3_445 98.1(5) ?
O5 Ca1 C4 . . 4_455 105.7(5) ?
O5 Ca1 O6 1_655 . 3_444 93.8(4) ?
O5 Ca1 O7 1_655 . . 69.6(4) ?
O5 Ca1 O11 1_655 . . 133.6(5) ?
O5 Ca1 O11 1_655 . 1_655 61.7(5) ?
O5 Ca1 C1 1_655 . . 93.3(4) ?
O5 Ca1 C2 1_655 . 3_544 32.8(4) ?
O5 Ca1 C3 1_655 . 3_445 124.5(5) ?
O5 Ca1 C4 1_655 . 4_455 73.7(4) ?
O6 Ca1 O7 3_444 . . 162.7(4) ?
O6 Ca1 O11 3_444 . . 132.1(4) ?
O6 Ca1 O11 3_444 . 1_655 120.3(4) ?
O6 Ca1 C1 3_444 . . 30.0(3) ?
O6 Ca1 C2 3_444 . 3_544 84.7(5) ?
O6 Ca1 C3 3_444 . 3_445 130.5(5) ?
O6 Ca1 C4 3_444 . 4_455 151.4(4) ?
O7 Ca1 O11 . . . 64.1(5) ?
O7 Ca1 O11 . . 1_655 56.3(4) ?
O7 Ca1 C1 . . . 149.7(4) ?
O7 Ca1 C2 . . 3_544 78.8(5) ?
O7 Ca1 C3 . . 3_445 65.7(5) ?
O7 Ca1 C4 . . 4_455 29.3(4) ?
O11 Ca1 O11 . . 1_655 93.2(4) ?
O11 Ca1 C1 . . . 128.8(5) ?
O11 Ca1 C2 . . 3_544 129.7(6) ?
O11 Ca1 C3 . . 3_445 32.6(5) ?
O11 Ca1 C4 . . 4_455 67.3(4) ?
O11 Ca1 C1 1_655 . . 93.8(4) ?
O11 Ca1 C2 1_655 . 3_544 93.4(5) ?
O11 Ca1 C3 1_655 . 3_445 66.8(4) ?
O11 Ca1 C4 1_655 . 4_455 31.2(4) ?
C1 Ca1 C2 . . 3_544 100.4(4) ?
C1 Ca1 C3 . . 3_445 109.6(5) ?
C1 Ca1 C4 . . 4_455 123.3(4) ?
C2 Ca1 C3 3_544 . 3_445 144.5(5) ?
C2 Ca1 C4 3_544 . 4_455 96.4(5) ?
C3 Ca1 C4 3_445 . 4_455 51.3(4) ?
Ca1 Ca2 Ca1 3_444 . 3_544 67.77(11) ?
Ca1 Ca2 Ca2 3_444 . 1_455 60.46(11) ?
Ca1 Ca2 Ca2 3_444 . 1_655 119.54(14) ?
Ca1 Ca2 Ca3 3_444 . 2_544 135.94(15) ?
Ca1 Ca2 Ca3 3_444 . 3_444 46.26(10) ?
Ca1 Ca2 Ca3 3_444 . 4_364 92.66(14) ?
Ca1 Ca2 Ca3 3_444 . 4_464 121.99(16) ?
Ca1 Ca2 Ca4 3_444 . . 95.42(14) ?
Ca1 Ca2 Ca4 3_444 . 1_655 123.33(16) ?
Ca1 Ca2 Ca4 3_444 . 2_543 48.77(10) ?
Ca1 Ca2 Ca4 3_444 . 3_444 133.43(15) ?
Ca1 Ca2 O1 3_444 . 3_444 47.3(3) ?
Ca1 Ca2 O2 3_444 . . 56.2(4) ?
Ca1 Ca2 O2 3_444 . 1_655 102.5(4) ?
Ca1 Ca2 O4 3_444 . . 127.4(3) ?
Ca1 Ca2 O5 3_444 . 3_444 45.8(3) ?
Ca1 Ca2 O6 3_444 . . 56.0(3) ?
Ca1 Ca2 O6 3_444 . 1_655 103.1(3) ?
Ca1 Ca2 O8 3_444 . . 131.4(3) ?
Ca1 Ca2 O12 3_444 . . 105.3(3) ?
Ca1 Ca2 O12 3_444 . 1_655 160.8(3) ?
Ca1 Ca2 C1 3_444 . 3_544 77.6(3) ?
Ca1 Ca2 C2 3_444 . . 77.5(3) ?
Ca1 Ca2 C3 3_444 . 4_454 161.3(4) ?
Ca1 Ca2 C4 3_444 . 3_444 130.8(3) ?
Ca1 Ca2 Ca2 3_544 . 1_455 128.22(13) ?
Ca1 Ca2 Ca2 3_544 . 1_655 51.78(10) ?
Ca1 Ca2 Ca3 3_544 . 2_544 125.96(13) ?
Ca1 Ca2 Ca3 3_544 . 3_444 51.35(9) ?
Ca1 Ca2 Ca3 3_544 . 4_364 124.42(15) ?
Ca1 Ca2 Ca3 3_544 . 4_464 87.77(12) ?
Ca1 Ca2 Ca4 3_544 . . 122.36(15) ?
Ca1 Ca2 Ca4 3_544 . 1_655 85.13(12) ?
Ca1 Ca2 Ca4 3_544 . 2_543 48.47(9) ?
Ca1 Ca2 Ca4 3_544 . 3_444 128.82(14) ?
Ca1 Ca2 O1 3_544 . 3_444 42.7(3) ?
Ca1 Ca2 O2 3_544 . . 109.1(4) ?
Ca1 Ca2 O2 3_544 . 1_655 50.3(4) ?
Ca1 Ca2 O4 3_544 . . 124.4(3) ?
Ca1 Ca2 O5 3_544 . 3_444 43.6(3) ?
Ca1 Ca2 O6 3_544 . . 108.8(3) ?
Ca1 Ca2 O6 3_544 . 1_655 49.8(3) ?
Ca1 Ca2 O8 3_544 . . 118.9(3) ?
Ca1 Ca2 O12 3_544 . . 173.1(3) ?
Ca1 Ca2 O12 3_544 . 1_655 93.0(3) ?
Ca1 Ca2 C1 3_544 . 3_544 51.1(3) ?
Ca1 Ca2 C2 3_544 . . 50.8(3) ?
Ca1 Ca2 C3 3_544 . 4_454 118.6(3) ?
Ca1 Ca2 C4 3_544 . 3_444 153.4(3) ?
Ca2 Ca2 Ca2 1_455 . 1_655 180 ?
Ca2 Ca2 Ca3 1_455 . 2_544 93.32(10) ?
Ca2 Ca2 Ca3 1_455 . 3_444 90.01(10) ?
Ca2 Ca2 Ca3 1_455 . 4_364 60.54(11) ?
Ca2 Ca2 Ca3 1_455 . 4_464 119.10(14) ?
Ca2 Ca2 Ca4 1_455 . . 64.98(11) ?
Ca2 Ca2 Ca4 1_455 . 1_655 123.10(14) ?
Ca2 Ca2 Ca4 1_455 . 2_543 93.66(10) ?
Ca2 Ca2 Ca4 1_455 . 3_444 89.67(10) ?
Ca2 Ca2 O1 1_455 . 3_444 96.6(2) ?
Ca2 Ca2 O2 1_455 . . 38.8(4) ?
Ca2 Ca2 O2 1_455 . 1_655 141.7(4) ?
Ca2 Ca2 O4 1_455 . . 89.1(2) ?
Ca2 Ca2 O5 1_455 . 3_444 95.1(2) ?
Ca2 Ca2 O6 1_455 . . 38.9(3) ?
Ca2 Ca2 O6 1_455 . 1_655 143.1(3) ?
Ca2 Ca2 O8 1_455 . . 96.1(2) ?
Ca2 Ca2 O12 1_455 . . 44.9(3) ?
Ca2 Ca2 O12 1_455 . 1_655 138.8(3) ?
Ca2 Ca2 C1 1_455 . 3_544 114.0(3) ?
Ca2 Ca2 C2 1_455 . . 114.2(3) ?
Ca2 Ca2 C3 1_455 . 4_454 110.7(3) ?
Ca2 Ca2 C4 1_455 . 3_444 73.4(3) ?
Ca2 Ca2 Ca3 1_655 . 2_544 86.68(10) ?
Ca2 Ca2 Ca3 1_655 . 3_444 89.99(10) ?
Ca2 Ca2 Ca3 1_655 . 4_364 119.46(14) ?
Ca2 Ca2 Ca3 1_655 . 4_464 60.90(11) ?
Ca2 Ca2 Ca4 1_655 . . 115.02(14) ?
Ca2 Ca2 Ca4 1_655 . 1_655 56.90(11) ?
Ca2 Ca2 Ca4 1_655 . 2_543 86.34(10) ?
Ca2 Ca2 Ca4 1_655 . 3_444 90.33(10) ?
Ca2 Ca2 O1 1_655 . 3_444 83.4(2) ?
Ca2 Ca2 O2 1_655 . . 141.2(4) ?
Ca2 Ca2 O2 1_655 . 1_655 38.3(4) ?
Ca2 Ca2 O4 1_655 . . 90.9(2) ?
Ca2 Ca2 O5 1_655 . 3_444 84.9(2) ?
Ca2 Ca2 O6 1_655 . . 141.1(4) ?
Ca2 Ca2 O6 1_655 . 1_655 36.9(3) ?
Ca2 Ca2 O8 1_655 . . 83.9(2) ?
Ca2 Ca2 O12 1_655 . . 135.1(3) ?
Ca2 Ca2 O12 1_655 . 1_655 41.2(3) ?
Ca2 Ca2 C1 1_655 . 3_544 66.0(2) ?
Ca2 Ca2 C2 1_655 . . 65.8(3) ?
Ca2 Ca2 C3 1_655 . 4_454 69.3(3) ?
Ca2 Ca2 C4 1_655 . 3_444 106.6(3) ?
Ca3 Ca2 Ca3 2_544 . 3_444 105.21(11) ?
Ca3 Ca2 Ca3 2_544 . 4_364 43.71(7) ?
Ca3 Ca2 Ca3 2_544 . 4_464 38.53(7) ?
Ca3 Ca2 Ca4 2_544 . . 104.80(10) ?
Ca3 Ca2 Ca4 2_544 . 1_655 100.47(10) ?
Ca3 Ca2 Ca4 2_544 . 2_543 173.02(10) ?
Ca3 Ca2 Ca4 2_544 . 3_444 74.93(8) ?
Ca3 Ca2 O1 2_544 . 3_444 168.5(3) ?
Ca3 Ca2 O2 2_544 . . 80.9(4) ?
Ca3 Ca2 O2 2_544 . 1_655 75.7(4) ?
Ca3 Ca2 O4 2_544 . . 8.7(3) ?
Ca3 Ca2 O5 2_544 . 3_444 110.9(3) ?
Ca3 Ca2 O6 2_544 . . 124.5(3) ?
Ca3 Ca2 O6 2_544 . 1_655 116.8(3) ?
Ca3 Ca2 O8 2_544 . . 82.4(3) ?
Ca3 Ca2 O12 2_544 . . 58.5(4) ?
Ca3 Ca2 O12 2_544 . 1_655 55.2(4) ?
Ca3 Ca2 C1 2_544 . 3_544 145.8(3) ?
Ca3 Ca2 C2 2_544 . . 83.6(4) ?
Ca3 Ca2 C3 2_544 . 4_454 56.8(4) ?
Ca3 Ca2 C4 2_544 . 3_444 27.9(3) ?
Ca3 Ca2 Ca3 3_444 . 4_364 77.04(10) ?
Ca3 Ca2 Ca3 3_444 . 4_464 76.98(10) ?
Ca3 Ca2 Ca4 3_444 . . 141.69(12) ?
Ca3 Ca2 Ca4 3_444 . 1_655 136.48(11) ?
Ca3 Ca2 Ca4 3_444 . 2_543 74.70(8) ?
Ca3 Ca2 Ca4 3_444 . 3_444 179.66(11) ?
Ca3 Ca2 O1 3_444 . 3_444 69.2(3) ?
Ca3 Ca2 O2 3_444 . . 58.8(4) ?
Ca3 Ca2 O2 3_444 . 1_655 59.2(4) ?
Ca3 Ca2 O4 3_444 . . 97.6(3) ?
Ca3 Ca2 O5 3_444 . 3_444 7.9(3) ?
Ca3 Ca2 O6 3_444 . . 101.6(3) ?
Ca3 Ca2 O6 3_444 . 1_655 101.1(3) ?
Ca3 Ca2 O8 3_444 . . 169.9(3) ?
Ca3 Ca2 O12 3_444 . . 123.8(4) ?
Ca3 Ca2 O12 3_444 . 1_655 121.3(4) ?
Ca3 Ca2 C1 3_444 . 3_544 95.3(3) ?
Ca3 Ca2 C2 3_444 . . 31.5(3) ?
Ca3 Ca2 C3 3_444 . 4_454 152.1(4) ?
Ca3 Ca2 C4 3_444 . 3_444 123.4(3) ?
Ca3 Ca2 Ca3 4_364 . 4_464 58.56(10) ?
Ca3 Ca2 Ca4 4_364 . . 110.46(13) ?
Ca3 Ca2 Ca4 4_364 . 1_655 141.63(12) ?
Ca3 Ca2 Ca4 4_364 . 2_543 141.43(11) ?
Ca3 Ca2 Ca4 4_364 . 3_444 102.91(10) ?
Ca3 Ca2 O1 4_364 . 3_444 139.2(3) ?
Ca3 Ca2 O2 4_364 . . 37.2(4) ?
Ca3 Ca2 O2 4_364 . 1_655 88.7(4) ?
Ca3 Ca2 O4 4_364 . . 35.8(2) ?
Ca3 Ca2 O5 4_364 . 3_444 84.9(3) ?
Ca3 Ca2 O6 4_364 . . 99.4(3) ?
Ca3 Ca2 O6 4_364 . 1_655 156.2(3) ?
Ca3 Ca2 O8 4_364 . . 112.9(3) ?
Ca3 Ca2 O12 4_364 . . 53.9(5) ?
Ca3 Ca2 O12 4_364 . 1_655 98.3(4) ?
Ca3 Ca2 C1 4_364 . 3_544 170.2(3) ?
Ca3 Ca2 C2 4_364 . . 74.9(3) ?
Ca3 Ca2 C3 4_364 . 4_454 96.6(4) ?
Ca3 Ca2 C4 4_364 . 3_444 47.4(3) ?
Ca3 Ca2 Ca4 4_464 . . 139.93(12) ?
Ca3 Ca2 Ca4 4_464 . 1_655 104.58(12) ?
Ca3 Ca2 Ca4 4_464 . 2_543 136.23(11) ?
Ca3 Ca2 Ca4 4_464 . 3_444 103.29(10) ?
Ca3 Ca2 O1 4_464 . 3_444 130.3(3) ?
Ca3 Ca2 O2 4_464 . . 88.0(4) ?
Ca3 Ca2 O2 4_464 . 1_655 37.6(4) ?
Ca3 Ca2 O4 4_464 . . 36.9(2) ?
Ca3 Ca2 O5 4_464 . 3_444 79.8(3) ?
Ca3 Ca2 O6 4_464 . . 157.8(3) ?
Ca3 Ca2 O6 4_464 . 1_655 97.8(3) ?
Ca3 Ca2 O8 4_464 . . 106.6(3) ?
Ca3 Ca2 O12 4_464 . . 95.9(4) ?
Ca3 Ca2 O12 4_464 . 1_655 53.7(4) ?
Ca3 Ca2 C1 4_464 . 3_544 126.2(3) ?
Ca3 Ca2 C2 4_464 . . 48.4(4) ?
Ca3 Ca2 C3 4_464 . 4_454 76.7(4) ?
Ca3 Ca2 C4 4_464 . 3_444 66.5(3) ?
Ca4 Ca2 Ca4 . . 1_655 58.12(10) ?
Ca4 Ca2 Ca4 . . 2_543 78.31(10) ?
Ca4 Ca2 Ca4 . . 3_444 38.01(7) ?
Ca4 Ca2 O1 . . 3_444 84.6(3) ?
Ca4 Ca2 O2 . . . 103.7(4) ?
Ca4 Ca2 O2 . . 1_655 153.2(4) ?
Ca4 Ca2 O4 . . . 109.8(3) ?
Ca4 Ca2 O5 . . 3_444 140.0(3) ?
Ca4 Ca2 O6 . . . 40.8(3) ?
Ca4 Ca2 O6 . . 1_655 85.9(3) ?
Ca4 Ca2 O8 . . . 37.8(2) ?
Ca4 Ca2 O12 . . . 57.4(5) ?
Ca4 Ca2 O12 . . 1_655 95.4(4) ?
Ca4 Ca2 C1 . . 3_544 71.8(3) ?
Ca4 Ca2 C2 . . . 171.5(4) ?
Ca4 Ca2 C3 . . 4_454 66.1(3) ?
Ca4 Ca2 C4 . . 3_444 78.6(3) ?
Ca4 Ca2 Ca4 1_655 . 2_543 75.70(10) ?
Ca4 Ca2 Ca4 1_655 . 3_444 43.70(7) ?
Ca4 Ca2 O1 1_655 . 3_444 78.8(3) ?
Ca4 Ca2 O2 1_655 . . 161.6(4) ?
Ca4 Ca2 O2 1_655 . 1_655 95.2(4) ?
Ca4 Ca2 O4 1_655 . . 109.1(3) ?
Ca4 Ca2 O5 1_655 . 3_444 128.7(3) ?
Ca4 Ca2 O6 1_655 . . 91.7(3) ?
Ca4 Ca2 O6 1_655 . 1_655 35.5(3) ?
Ca4 Ca2 O8 1_655 . . 33.9(2) ?
Ca4 Ca2 O12 1_655 . . 99.6(4) ?
Ca4 Ca2 O12 1_655 . 1_655 51.9(4) ?
Ca4 Ca2 C1 1_655 . 3_544 47.9(2) ?
Ca4 Ca2 C2 1_655 . . 122.0(3) ?
Ca4 Ca2 C3 1_655 . 4_454 45.1(4) ?
Ca4 Ca2 C4 1_655 . 3_444 94.9(3) ?
Ca4 Ca2 Ca4 2_543 . 3_444 105.19(11) ?
Ca4 Ca2 O1 2_543 . 3_444 6.3(3) ?
Ca4 Ca2 O2 2_543 . . 104.6(4) ?
Ca4 Ca2 O2 2_543 . 1_655 98.7(4) ?
Ca4 Ca2 O4 2_543 . . 171.8(3) ?
Ca4 Ca2 O5 2_543 . 3_444 68.4(3) ?
Ca4 Ca2 O6 2_543 . . 61.9(3) ?
Ca4 Ca2 O6 2_543 . 1_655 56.8(3) ?
Ca4 Ca2 O8 2_543 . . 96.9(3) ?
Ca4 Ca2 O12 2_543 . . 127.6(4) ?
Ca4 Ca2 O12 2_543 . 1_655 118.7(4) ?
Ca4 Ca2 C1 2_543 . 3_544 28.8(2) ?
Ca4 Ca2 C2 2_543 . . 93.4(4) ?
Ca4 Ca2 C3 2_543 . 4_454 120.3(4) ?
Ca4 Ca2 C4 2_543 . 3_444 156.7(3) ?
Ca4 Ca2 O1 3_444 . 3_444 110.7(3) ?
Ca4 Ca2 O2 3_444 . . 120.9(4) ?
Ca4 Ca2 O2 3_444 . 1_655 121.2(4) ?
Ca4 Ca2 O4 3_444 . . 82.5(3) ?
Ca4 Ca2 O5 3_444 . 3_444 172.2(3) ?
Ca4 Ca2 O6 3_444 . . 78.1(3) ?
Ca4 Ca2 O6 3_444 . 1_655 79.1(3) ?
Ca4 Ca2 O8 3_444 . . 10.2(2) ?
Ca4 Ca2 O12 3_444 . . 56.0(4) ?
Ca4 Ca2 O12 3_444 . 1_655 59.1(4) ?
Ca4 Ca2 C1 3_444 . 3_544 84.7(3) ?
Ca4 Ca2 C2 3_444 . . 148.8(3) ?
Ca4 Ca2 C3 3_444 . 4_454 28.2(3) ?
Ca4 Ca2 C4 3_444 . 3_444 56.6(3) ?
O1 Ca2 O2 3_444 . . 103.5(5) ?
O1 Ca2 O2 3_444 . 1_655 92.9(5) ?
O1 Ca2 O4 3_444 . . 165.5(5) ?
O1 Ca2 O5 3_444 . 3_444 62.6(4) ?
O1 Ca2 O6 3_444 . . 67.0(4) ?
O1 Ca2 O6 3_444 . 1_655 56.5(4) ?
O1 Ca2 O8 3_444 . . 102.1(4) ?
O1 Ca2 O12 3_444 . . 133.0(5) ?
O1 Ca2 O12 3_444 . 1_655 118.3(4) ?
O1 Ca2 C1 3_444 . 3_544 31.0(4) ?
O1 Ca2 C2 3_444 . . 87.1(5) ?
O1 Ca2 C3 3_444 . 4_454 123.8(5) ?
O1 Ca2 C4 3_444 . 3_444 163.0(4) ?
O2 Ca2 O2 . . 1_655 102.9(5) ?
O2 Ca2 O4 . . . 73.0(5) ?
O2 Ca2 O5 . . 3_444 66.0(4) ?
O2 Ca2 O6 . . . 73.0(5) ?
O2 Ca2 O6 . . 1_655 157.4(5) ?
O2 Ca2 O8 . . . 129.9(4) ?
O2 Ca2 O12 . . . 65.3(5) ?
O2 Ca2 O12 . . 1_655 135.4(6) ?
O2 Ca2 C1 . . 3_544 133.3(5) ?
O2 Ca2 C2 . . . 76.4(5) ?
O2 Ca2 C3 . . 4_454 128.7(5) ?
O2 Ca2 C4 . . 3_444 77.6(5) ?
O2 Ca2 O4 1_655 . . 74.6(5) ?
O2 Ca2 O5 1_655 . 3_444 57.3(4) ?
O2 Ca2 O6 1_655 . . 157.1(5) ?
O2 Ca2 O6 1_655 . 1_655 70.7(5) ?
O2 Ca2 O8 1_655 . . 118.0(4) ?
O2 Ca2 O12 1_655 . . 133.6(6) ?
O2 Ca2 O12 1_655 . 1_655 62.3(5) ?
O2 Ca2 C1 1_655 . 3_544 92.6(5) ?
O2 Ca2 C2 1_655 . . 29.3(5) ?
O2 Ca2 C3 1_655 . 4_454 94.0(5) ?
O2 Ca2 C4 1_655 . 3_444 103.4(5) ?
O4 Ca2 O5 . . 3_444 103.8(5) ?
O4 Ca2 O6 . . . 123.5(4) ?
O4 Ca2 O6 . . 1_655 123.4(4) ?
O4 Ca2 O8 . . . 90.4(4) ?
O4 Ca2 O12 . . . 59.0(5) ?
O4 Ca2 O12 . . 1_655 62.6(4) ?
O4 Ca2 C1 . . 3_544 153.4(3) ?
O4 Ca2 C2 . . . 78.4(5) ?
O4 Ca2 C3 . . 4_454 65.5(5) ?
O4 Ca2 C4 . . 3_444 31.3(4) ?
O5 Ca2 O6 3_444 . . 101.8(4) ?
O5 Ca2 O6 3_444 . 1_655 93.4(4) ?
O5 Ca2 O8 3_444 . . 162.0(4) ?
O5 Ca2 O12 3_444 . . 131.3(5) ?
O5 Ca2 O12 3_444 . 1_655 119.4(4) ?
O5 Ca2 C1 3_444 . 3_544 87.7(4) ?
O5 Ca2 C2 3_444 . . 32.1(4) ?
O5 Ca2 C3 3_444 . 4_454 151.3(4) ?
O5 Ca2 C4 3_444 . 3_444 130.8(5) ?
O6 Ca2 O6 . . 1_655 104.2(5) ?
O6 Ca2 O8 . . . 78.7(4) ?
O6 Ca2 O12 . . . 66.1(5) ?
O6 Ca2 O12 . . 1_655 136.2(5) ?
O6 Ca2 C1 . . 3_544 75.9(4) ?
O6 Ca2 C2 . . . 133.1(5) ?
O6 Ca2 C3 . . 4_454 106.2(5) ?
O6 Ca2 C4 . . 3_444 97.7(4) ?
O6 Ca2 O8 1_655 . . 69.3(4) ?
O6 Ca2 O12 1_655 . . 135.0(5) ?
O6 Ca2 O12 1_655 . 1_655 61.9(5) ?
O6 Ca2 C1 1_655 . 3_544 30.7(4) ?
O6 Ca2 C2 1_655 . . 91.1(4) ?
O6 Ca2 C3 1_655 . 4_454 73.8(5) ?
O6 Ca2 C4 1_655 . 3_444 124.7(4) ?
O8 Ca2 O12 . . . 65.7(5) ?
O8 Ca2 O12 . . 1_655 57.6(5) ?
O8 Ca2 C1 . . 3_544 75.0(4) ?
O8 Ca2 C2 . . . 147.2(4) ?
O8 Ca2 C3 . . 4_454 30.0(4) ?
O8 Ca2 C4 . . 3_444 66.2(4) ?
O12 Ca2 O12 . . 1_655 93.9(4) ?
O12 Ca2 C1 . . 3_544 129.2(5) ?
O12 Ca2 C2 . . . 128.7(6) ?
O12 Ca2 C3 . . 4_454 68.0(4) ?
O12 Ca2 C4 . . 3_444 31.9(4) ?
O12 Ca2 C1 1_655 . 3_544 90.8(5) ?
O12 Ca2 C2 1_655 . . 90.2(5) ?
O12 Ca2 C3 1_655 . 4_454 31.9(5) ?
O12 Ca2 C4 1_655 . 3_444 67.1(4) ?
C1 Ca2 C2 3_544 . . 101.9(4) ?
C1 Ca2 C3 3_544 . 4_454 93.0(4) ?
C1 Ca2 C4 3_544 . 3_444 141.1(4) ?
C2 Ca2 C3 . . 4_454 120.7(5) ?
C2 Ca2 C4 . . 3_444 109.5(5) ?
C3 Ca2 C4 4_454 . 3_444 51.3(4) ?
Ca1 Ca3 Ca1 1_455 . . 58.30(11) ?
Ca1 Ca3 Ca1 1_455 . 2_434 100.60(9) ?
Ca1 Ca3 Ca1 1_455 . 3_435 136.22(10) ?
Ca1 Ca3 Ca2 1_455 . 2_444 75.53(10) ?
Ca1 Ca3 Ca2 1_455 . 3_444 43.64(8) ?
Ca1 Ca3 Ca2 1_455 . 4_345 104.44(11) ?
Ca1 Ca3 Ca2 1_455 . 4_445 141.70(11) ?
Ca1 Ca3 Ca3 1_455 . 1_455 56.88(10) ?
Ca1 Ca3 Ca3 1_455 . 1_655 123.12(14) ?
Ca1 Ca3 Ca3 1_455 . 3_335 84.86(11) ?
Ca1 Ca3 Ca3 1_455 . 3_435 123.14(16) ?
Ca1 Ca3 O2 1_455 . 4_345 107.5(4) ?
Ca1 Ca3 O4 1_455 . 2_444 79.2(3) ?
Ca1 Ca3 O4 1_455 . 4_345 94.7(3) ?
Ca1 Ca3 O4 1_455 . 4_445 160.1(3) ?
Ca1 Ca3 O5 1_455 . . 35.0(3) ?
Ca1 Ca3 O7 1_455 . 1_455 35.5(3) ?
Ca1 Ca3 O7 1_455 . . 92.0(3) ?
Ca1 Ca3 O7 1_455 . 3_435 127.9(3) ?
Ca1 Ca3 O10 1_455 . 4_345 52.8(3) ?
Ca1 Ca3 O10 1_455 . 4_445 100.1(3) ?
Ca1 Ca3 C2 1_455 . 3_444 43.9(3) ?
Ca1 Ca3 C2 1_455 . 4_445 97.0(3) ?
Ca1 Ca3 C4 1_455 . 2_434 124.4(3) ?
Ca1 Ca3 C4 1_455 . 4_355 47.4(3) ?
Ca1 Ca3 Ca1 . . 2_434 104.94(10) ?
Ca1 Ca3 Ca1 . . 3_435 141.65(11) ?
Ca1 Ca3 Ca2 . . 2_444 78.08(11) ?
Ca1 Ca3 Ca2 . . 3_444 38.53(8) ?
Ca1 Ca3 Ca2 . . 4_345 140.14(12) ?
Ca1 Ca3 Ca2 . . 4_445 110.64(12) ?
Ca1 Ca3 Ca3 . . 1_455 115.18(14) ?
Ca1 Ca3 Ca3 . . 1_655 64.82(11) ?
Ca1 Ca3 Ca3 . . 3_335 122.40(15) ?
Ca1 Ca3 Ca3 . . 3_435 95.39(14) ?
Ca1 Ca3 O2 . . 4_345 109.4(4) ?
Ca1 Ca3 O4 . . 2_444 85.8(3) ?
Ca1 Ca3 O4 . . 4_345 152.8(3) ?
Ca1 Ca3 O4 . . 4_445 102.0(3) ?
Ca1 Ca3 O5 . . . 38.3(3) ?
Ca1 Ca3 O7 . . 1_455 86.0(3) ?
Ca1 Ca3 O7 . . . 41.0(3) ?
Ca1 Ca3 O7 . . 3_435 140.1(3) ?
Ca1 Ca3 O10 . . 4_345 95.9(3) ?
Ca1 Ca3 O10 . . 4_445 58.2(3) ?
Ca1 Ca3 C2 . . 3_444 65.5(3) ?
Ca1 Ca3 C2 . . 4_445 82.1(3) ?
Ca1 Ca3 C4 . . 2_434 170.1(3) ?
Ca1 Ca3 C4 . . 4_355 71.2(3) ?
Ca1 Ca3 Ca1 2_434 . 3_435 105.16(11) ?
Ca1 Ca3 Ca2 2_434 . 2_444 173.08(10) ?
Ca1 Ca3 Ca2 2_434 . 3_444 74.78(8) ?
Ca1 Ca3 Ca2 2_434 . 4_345 38.69(8) ?
Ca1 Ca3 Ca2 2_434 . 4_445 43.53(8) ?
Ca1 Ca3 Ca3 2_434 . 1_455 86.67(10) ?
Ca1 Ca3 Ca3 2_434 . 1_655 93.33(10) ?
Ca1 Ca3 Ca3 2_434 . 3_335 125.74(13) ?
Ca1 Ca3 Ca3 2_434 . 3_435 136.04(15) ?
Ca1 Ca3 O2 2_434 . 4_345 7.0(4) ?
Ca1 Ca3 O4 2_434 . 2_444 167.4(2) ?
Ca1 Ca3 O4 2_434 . 4_345 75.4(3) ?
Ca1 Ca3 O4 2_434 . 4_445 80.9(3) ?
Ca1 Ca3 O5 2_434 . . 81.3(3) ?
Ca1 Ca3 O7 2_434 . 1_455 117.1(3) ?
Ca1 Ca3 O7 2_434 . . 124.4(3) ?
Ca1 Ca3 O7 2_434 . 3_435 111.0(3) ?
Ca1 Ca3 O10 2_434 . 4_345 54.1(3) ?
Ca1 Ca3 O10 2_434 . 4_445 57.7(3) ?
Ca1 Ca3 C2 2_434 . 3_444 58.2(3) ?
Ca1 Ca3 C2 2_434 . 4_445 24.8(3) ?
Ca1 Ca3 C4 2_434 . 2_434 84.2(3) ?
Ca1 Ca3 C4 2_434 . 4_355 145.7(3) ?
Ca1 Ca3 Ca2 3_435 . 2_444 74.82(8) ?
Ca1 Ca3 Ca2 3_435 . 3_444 179.78(10) ?
Ca1 Ca3 Ca2 3_435 . 4_345 76.86(10) ?
Ca1 Ca3 Ca2 3_435 . 4_445 77.07(10) ?
Ca1 Ca3 Ca3 3_435 . 1_455 89.77(10) ?
Ca1 Ca3 Ca3 3_435 . 1_655 90.23(10) ?
Ca1 Ca3 Ca3 3_435 . 3_335 51.36(9) ?
Ca1 Ca3 Ca3 3_435 . 3_435 46.27(10) ?
Ca1 Ca3 O2 3_435 . 4_345 98.8(4) ?
Ca1 Ca3 O4 3_435 . 2_444 68.1(3) ?
Ca1 Ca3 O4 3_435 . 4_345 59.5(3) ?
Ca1 Ca3 O4 3_435 . 4_445 60.4(3) ?
Ca1 Ca3 O5 3_435 . . 171.0(3) ?
Ca1 Ca3 O7 3_435 . 1_455 100.8(3) ?
Ca1 Ca3 O7 3_435 . . 101.5(3) ?
Ca1 Ca3 O7 3_435 . 3_435 8.5(3) ?
Ca1 Ca3 O10 3_435 . 4_345 121.0(3) ?
Ca1 Ca3 O10 3_435 . 4_445 123.5(3) ?
Ca1 Ca3 C2 3_435 . 3_444 152.6(3) ?
Ca1 Ca3 C2 3_435 . 4_445 120.6(3) ?
Ca1 Ca3 C4 3_435 . 2_434 29.0(3) ?
Ca1 Ca3 C4 3_435 . 4_355 95.8(3) ?
Ca2 Ca3 Ca2 2_444 . 3_444 105.21(11) ?
Ca2 Ca3 Ca2 2_444 . 4_345 136.16(11) ?
Ca2 Ca3 Ca2 2_444 . 4_445 141.60(11) ?
Ca2 Ca3 Ca3 2_444 . 1_455 86.42(10) ?
Ca2 Ca3 Ca3 2_444 . 1_655 93.58(10) ?
Ca2 Ca3 Ca3 2_444 . 3_335 48.78(9) ?
Ca2 Ca3 Ca3 2_444 . 3_435 48.65(10) ?
Ca2 Ca3 O2 2_444 . 4_345 172.5(4) ?
Ca2 Ca3 O4 2_444 . 2_444 7.7(3) ?
Ca2 Ca3 O4 2_444 . 4_345 99.1(3) ?
Ca2 Ca3 O4 2_444 . 4_445 104.7(3) ?
Ca2 Ca3 O5 2_444 . . 98.0(4) ?
Ca2 Ca3 O7 2_444 . 1_455 56.5(3) ?
Ca2 Ca3 O7 2_444 . . 61.9(3) ?
Ca2 Ca3 O7 2_444 . 3_435 68.2(3) ?
Ca2 Ca3 O10 2_444 . 4_345 119.7(3) ?
Ca2 Ca3 O10 2_444 . 4_445 128.3(3) ?
Ca2 Ca3 C2 2_444 . 3_444 118.9(3) ?
Ca2 Ca3 C2 2_444 . 4_445 159.9(3) ?
Ca2 Ca3 C4 2_444 . 2_434 93.2(3) ?
Ca2 Ca3 C4 2_444 . 4_355 29.0(3) ?
Ca2 Ca3 Ca2 3_444 . 4_345 102.99(10) ?
Ca2 Ca3 Ca2 3_444 . 4_445 103.00(10) ?
Ca2 Ca3 Ca3 3_444 . 1_455 90.01(10) ?
Ca2 Ca3 Ca3 3_444 . 1_655 89.99(10) ?
Ca2 Ca3 Ca3 3_444 . 3_335 128.50(13) ?
Ca2 Ca3 Ca3 3_444 . 3_435 133.92(15) ?
Ca2 Ca3 O2 3_444 . 4_345 81.1(4) ?
Ca2 Ca3 O4 3_444 . 2_444 111.9(3) ?
Ca2 Ca3 O4 3_444 . 4_345 120.2(3) ?
Ca2 Ca3 O4 3_444 . 4_445 119.8(3) ?
Ca2 Ca3 O5 3_444 . . 8.9(3) ?
Ca2 Ca3 O7 3_444 . 1_455 79.1(3) ?
Ca2 Ca3 O7 3_444 . . 78.7(3) ?
Ca2 Ca3 O7 3_444 . 3_435 171.4(3) ?
Ca2 Ca3 O10 3_444 . 4_345 58.8(3) ?
Ca2 Ca3 O10 3_444 . 4_445 56.6(3) ?
Ca2 Ca3 C2 3_444 . 3_444 27.2(3) ?
Ca2 Ca3 C2 3_444 . 4_445 59.4(3) ?
Ca2 Ca3 C4 3_444 . 2_434 150.8(3) ?
Ca2 Ca3 C4 3_444 . 4_355 84.2(3) ?
Ca2 Ca3 Ca2 4_345 . 4_445 58.56(11) ?
Ca2 Ca3 Ca3 4_345 . 1_455 60.63(11) ?
Ca2 Ca3 Ca3 4_345 . 1_655 119.37(14) ?
Ca2 Ca3 Ca3 4_345 . 3_335 87.38(12) ?
Ca2 Ca3 Ca3 4_345 . 3_435 121.95(16) ?
Ca2 Ca3 O2 4_345 . 4_345 36.8(3) ?
Ca2 Ca3 O4 4_345 . 2_444 128.9(3) ?
Ca2 Ca3 O4 4_345 . 4_345 37.2(3) ?
Ca2 Ca3 O4 4_345 . 4_445 89.2(3) ?
Ca2 Ca3 O5 4_345 . . 105.9(3) ?
Ca2 Ca3 O7 4_345 . 1_455 97.7(3) ?
Ca2 Ca3 O7 4_345 . . 157.8(3) ?
Ca2 Ca3 O7 4_345 . 3_435 79.6(3) ?
Ca2 Ca3 O10 4_345 . 4_345 52.9(3) ?
Ca2 Ca3 O10 4_345 . 4_445 95.3(3) ?
Ca2 Ca3 C2 4_345 . 3_444 77.6(3) ?
Ca2 Ca3 C2 4_345 . 4_445 63.5(3) ?
Ca2 Ca3 C4 4_345 . 2_434 49.7(3) ?
Ca2 Ca3 C4 4_345 . 4_355 126.2(3) ?
Ca2 Ca3 Ca3 4_445 . 1_455 119.19(14) ?
Ca2 Ca3 Ca3 4_445 . 1_655 60.81(11) ?
Ca2 Ca3 Ca3 4_445 . 3_335 124.32(15) ?
Ca2 Ca3 Ca3 4_445 . 3_435 92.94(13) ?
Ca2 Ca3 O2 4_445 . 4_345 37.4(3) ?
Ca2 Ca3 O4 4_445 . 2_444 138.9(3) ?
Ca2 Ca3 O4 4_445 . 4_345 88.6(3) ?
Ca2 Ca3 O4 4_445 . 4_445 37.6(3) ?
Ca2 Ca3 O5 4_445 . . 111.7(3) ?
Ca2 Ca3 O7 4_445 . 1_455 156.2(3) ?
Ca2 Ca3 O7 4_445 . . 99.4(3) ?
Ca2 Ca3 O7 4_445 . 3_435 85.4(3) ?
Ca2 Ca3 O10 4_445 . 4_345 97.1(3) ?
Ca2 Ca3 O10 4_445 . 4_445 53.3(3) ?
Ca2 Ca3 C2 4_445 . 3_444 97.9(3) ?
Ca2 Ca3 C2 4_445 . 4_445 45.1(3) ?
Ca2 Ca3 C4 4_445 . 2_434 73.4(3) ?
Ca2 Ca3 C4 4_445 . 4_355 170.6(3) ?
Ca3 Ca3 Ca3 1_455 . 1_655 180 ?
Ca3 Ca3 Ca3 1_455 . 3_335 51.49(8) ?
Ca3 Ca3 Ca3 1_455 . 3_435 119.28(11) ?
Ca3 Ca3 O2 1_455 . 4_345 89.5(2) ?
Ca3 Ca3 O4 1_455 . 2_444 82.73(19) ?
Ca3 Ca3 O4 1_455 . 4_345 37.9(3) ?
Ca3 Ca3 O4 1_455 . 4_445 142.7(3) ?
Ca3 Ca3 O5 1_455 . . 84.3(2) ?
Ca3 Ca3 O7 1_455 . 1_455 37.1(3) ?
Ca3 Ca3 O7 1_455 . . 141.4(3) ?
Ca3 Ca3 O7 1_455 . 3_435 84.1(2) ?
Ca3 Ca3 O10 1_455 . 4_345 41.96(19) ?
Ca3 Ca3 O10 1_455 . 4_445 134.9(2) ?
Ca3 Ca3 C2 1_455 . 3_444 69.0(3) ?
Ca3 Ca3 C2 1_455 . 4_445 105.3(3) ?
Ca3 Ca3 C4 1_455 . 2_434 68.3(3) ?
Ca3 Ca3 C4 1_455 . 4_355 66.2(3) ?
Ca3 Ca3 Ca3 1_655 . 3_335 128.51(11) ?
Ca3 Ca3 Ca3 1_655 . 3_435 60.72(9) ?
Ca3 Ca3 O2 1_655 . 4_345 90.5(2) ?
Ca3 Ca3 O4 1_655 . 2_444 97.27(19) ?
Ca3 Ca3 O4 1_655 . 4_345 142.1(3) ?
Ca3 Ca3 O4 1_655 . 4_445 37.3(3) ?
Ca3 Ca3 O5 1_655 . . 95.7(2) ?
Ca3 Ca3 O7 1_655 . 1_455 142.9(3) ?
Ca3 Ca3 O7 1_655 . . 38.6(3) ?
Ca3 Ca3 O7 1_655 . 3_435 95.9(2) ?
Ca3 Ca3 O10 1_655 . 4_345 138.0(2) ?
Ca3 Ca3 O10 1_655 . 4_445 45.1(2) ?
Ca3 Ca3 C2 1_655 . 3_444 111.0(3) ?
Ca3 Ca3 C2 1_655 . 4_445 74.7(3) ?
Ca3 Ca3 C4 1_655 . 2_434 111.7(3) ?
Ca3 Ca3 C4 1_655 . 4_355 113.8(3) ?
Ca3 Ca3 Ca3 3_335 . 3_435 67.79(10) ?
Ca3 Ca3 O2 3_335 . 4_345 124.0(3) ?
Ca3 Ca3 O4 3_335 . 2_444 41.7(2) ?
Ca3 Ca3 O4 3_335 . 4_345 50.4(3) ?
Ca3 Ca3 O4 3_335 . 4_445 110.5(3) ?
Ca3 Ca3 O5 3_335 . . 119.8(3) ?
Ca3 Ca3 O7 3_335 . 1_455 49.4(3) ?
Ca3 Ca3 O7 3_335 . . 109.1(3) ?
Ca3 Ca3 O7 3_335 . 3_435 43.1(2) ?
Ca3 Ca3 O10 3_335 . 4_345 93.4(2) ?
Ca3 Ca3 O10 3_335 . 4_445 173.5(2) ?
Ca3 Ca3 C2 3_335 . 3_444 117.7(3) ?
Ca3 Ca3 C2 3_335 . 4_445 150.4(3) ?
Ca3 Ca3 C4 3_335 . 2_434 51.6(3) ?
Ca3 Ca3 C4 3_335 . 4_355 51.8(3) ?
Ca3 Ca3 O2 3_435 . 4_345 129.3(4) ?
Ca3 Ca3 O4 3_435 . 2_444 46.9(2) ?
Ca3 Ca3 O4 3_435 . 4_345 102.9(3) ?
Ca3 Ca3 O4 3_435 . 4_445 56.6(3) ?
Ca3 Ca3 O5 3_435 . . 132.1(4) ?
Ca3 Ca3 O7 3_435 . 1_455 102.6(3) ?
Ca3 Ca3 O7 3_435 . . 56.0(3) ?
Ca3 Ca3 O7 3_435 . 3_435 46.1(3) ?
Ca3 Ca3 O10 3_435 . 4_345 161.2(2) ?
Ca3 Ca3 O10 3_435 . 4_445 105.8(2) ?
Ca3 Ca3 C2 3_435 . 3_444 160.4(3) ?
Ca3 Ca3 C2 3_435 . 4_445 131.1(3) ?
Ca3 Ca3 C4 3_435 . 2_434 75.2(3) ?
Ca3 Ca3 C4 3_435 . 4_355 77.7(3) ?
O2 Ca3 O4 4_345 . 2_444 164.7(5) ?
O2 Ca3 O4 4_345 . 4_345 74.0(4) ?
O2 Ca3 O4 4_345 . 4_445 74.9(4) ?
O2 Ca3 O5 4_345 . . 87.9(5) ?
O2 Ca3 O7 4_345 . 1_455 122.0(4) ?
O2 Ca3 O7 4_345 . . 124.2(4) ?
O2 Ca3 O7 4_345 . 3_435 105.0(5) ?
O2 Ca3 O10 4_345 . 4_345 59.8(4) ?
O2 Ca3 O10 4_345 . 4_445 58.6(4) ?
O2 Ca3 C2 4_345 . 3_444 65.2(5) ?
O2 Ca3 C2 4_345 . 4_445 27.6(5) ?
O2 Ca3 C4 4_345 . 2_434 79.4(5) ?
O2 Ca3 C4 4_345 . 4_355 151.6(4) ?
O4 Ca3 O4 2_444 . 4_345 92.1(4) ?
O4 Ca3 O4 2_444 . 4_445 103.6(4) ?
O4 Ca3 O5 2_444 . . 104.3(5) ?
O4 Ca3 O7 2_444 . 1_455 56.1(4) ?
O4 Ca3 O7 2_444 . . 68.1(4) ?
O4 Ca3 O7 2_444 . 3_435 61.2(4) ?
O4 Ca3 O10 2_444 . 4_345 119.1(3) ?
O4 Ca3 O10 2_444 . 4_445 134.9(4) ?
O4 Ca3 C2 2_444 . 3_444 123.1(4) ?
O4 Ca3 C2 2_444 . 4_445 167.5(4) ?
O4 Ca3 C4 2_444 . 2_434 85.5(4) ?
O4 Ca3 C4 2_444 . 4_355 31.9(4) ?
O4 Ca3 O4 4_345 . 4_445 104.8(4) ?
O4 Ca3 O5 4_345 . . 117.5(4) ?
O4 Ca3 O7 4_345 . 1_455 70.6(4) ?
O4 Ca3 O7 4_345 . . 157.5(4) ?
O4 Ca3 O7 4_345 . 3_435 57.3(4) ?
O4 Ca3 O10 4_345 . 4_345 61.7(4) ?
O4 Ca3 O10 4_345 . 4_445 132.5(4) ?
O4 Ca3 C2 4_345 . 3_444 93.8(4) ?
O4 Ca3 C2 4_345 . 4_445 100.1(4) ?
O4 Ca3 C4 4_345 . 2_434 32.5(4) ?
O4 Ca3 C4 4_345 . 4_355 93.1(4) ?
O4 Ca3 O5 4_445 . . 127.6(4) ?
O4 Ca3 O7 4_445 . 1_455 158.0(4) ?
O4 Ca3 O7 4_445 . . 71.4(4) ?
O4 Ca3 O7 4_445 . 3_435 68.1(4) ?
O4 Ca3 O10 4_445 . 4_345 134.6(4) ?
O4 Ca3 O10 4_445 . 4_445 63.7(4) ?
O4 Ca3 C2 4_445 . 3_444 129.0(4) ?
O4 Ca3 C2 4_445 . 4_445 76.0(4) ?
O4 Ca3 C4 4_445 . 2_434 75.5(4) ?
O4 Ca3 C4 4_445 . 4_355 133.4(4) ?
O5 Ca3 O7 . . 1_455 70.5(4) ?
O5 Ca3 O7 . . . 79.3(4) ?
O5 Ca3 O7 . . 3_435 162.5(4) ?
O5 Ca3 O10 . . 4_345 57.6(4) ?
O5 Ca3 O10 . . 4_445 65.1(4) ?
O5 Ca3 C2 . . 3_444 28.3(4) ?
O5 Ca3 C2 . . 4_445 67.7(5) ?
O5 Ca3 C4 . . 2_434 149.7(4) ?
O5 Ca3 C4 . . 4_355 75.6(5) ?
O7 Ca3 O7 1_455 . . 104.3(5) ?
O7 Ca3 O7 1_455 . 3_435 92.5(4) ?
O7 Ca3 O10 1_455 . 4_345 63.3(4) ?
O7 Ca3 O10 1_455 . 4_445 135.6(5) ?
O7 Ca3 C2 1_455 . 3_444 73.0(4) ?
O7 Ca3 C2 1_455 . 4_445 125.8(4) ?
O7 Ca3 C4 1_455 . 2_434 93.1(4) ?
O7 Ca3 C4 1_455 . 4_355 30.5(4) ?
O7 Ca3 O7 . . 3_435 102.1(4) ?
O7 Ca3 O10 . . 4_345 136.9(5) ?
O7 Ca3 O10 . . 4_445 66.8(4) ?
O7 Ca3 C2 . . 3_444 105.9(4) ?
O7 Ca3 C2 . . 4_445 100.3(4) ?
O7 Ca3 C4 . . 2_434 130.5(4) ?
O7 Ca3 C4 . . 4_355 75.9(4) ?
O7 Ca3 O10 3_435 . 4_345 118.9(3) ?
O7 Ca3 O10 3_435 . 4_445 131.7(4) ?
O7 Ca3 C2 3_435 . 3_444 150.9(4) ?
O7 Ca3 C2 3_435 . 4_445 128.2(5) ?
O7 Ca3 C4 3_435 . 2_434 30.0(4) ?
O7 Ca3 C4 3_435 . 4_355 87.7(4) ?
O10 Ca3 O10 4_345 . 4_445 92.9(3) ?
O10 Ca3 C2 4_345 . 3_444 32.1(4) ?
O10 Ca3 C2 4_345 . 4_445 65.6(3) ?
O10 Ca3 C4 4_345 . 2_434 92.5(4) ?
O10 Ca3 C4 4_345 . 4_355 91.8(4) ?
O10 Ca3 C2 4_445 . 3_444 68.7(3) ?
O10 Ca3 C2 4_445 . 4_445 33.6(4) ?
O10 Ca3 C4 4_445 . 2_434 126.7(5) ?
O10 Ca3 C4 4_445 . 4_355 129.4(5) ?
C2 Ca3 C2 3_444 . 4_445 53.9(4) ?
C2 Ca3 C4 3_444 . 2_434 123.6(4) ?
C2 Ca3 C4 3_444 . 4_355 91.3(4) ?
C2 Ca3 C4 4_445 . 2_434 106.2(5) ?
C2 Ca3 C4 4_445 . 4_355 143.1(5) ?
C4 Ca3 C4 2_434 . 4_355 103.4(4) ?
Ca1 Ca4 Ca1 2_444 . 3_444 105.08(11) ?
Ca1 Ca4 Ca1 2_444 . 4_354 136.25(11) ?
Ca1 Ca4 Ca1 2_444 . 4_454 141.97(11) ?
Ca1 Ca4 Ca2 2_444 . 1_455 75.48(10) ?
Ca1 Ca4 Ca2 2_444 . . 78.11(11) ?
Ca1 Ca4 Ca2 2_444 . 2_443 172.91(10) ?
Ca1 Ca4 Ca2 2_444 . 3_444 75.05(8) ?
Ca1 Ca4 Ca4 2_444 . 1_455 86.32(10) ?
Ca1 Ca4 Ca4 2_444 . 1_655 93.68(10) ?
Ca1 Ca4 Ca4 2_444 . 3_344 48.96(9) ?
Ca1 Ca4 Ca4 2_444 . 3_444 48.72(10) ?
Ca1 Ca4 O1 2_444 . 4_354 173.0(3) ?
Ca1 Ca4 O3 2_444 . 2_444 7.8(3) ?
Ca1 Ca4 O3 2_444 . 4_354 98.7(3) ?
Ca1 Ca4 O3 2_444 . 4_454 104.7(3) ?
Ca1 Ca4 O6 2_444 . . 97.8(3) ?
Ca1 Ca4 O8 2_444 . 1_455 57.2(3) ?
Ca1 Ca4 O8 2_444 . . 63.0(3) ?
Ca1 Ca4 O8 2_444 . 3_444 67.5(3) ?
Ca1 Ca4 O9 2_444 . 4_354 119.5(3) ?
Ca1 Ca4 O9 2_444 . 4_454 128.2(3) ?
Ca1 Ca4 C1 2_444 . 3_444 119.4(3) ?
Ca1 Ca4 C1 2_444 . 4_454 157.5(3) ?
Ca1 Ca4 C3 2_444 . 2_444 93.8(4) ?
Ca1 Ca4 C3 2_444 . 4_354 28.3(4) ?
Ca1 Ca4 Ca1 3_444 . 4_354 102.77(10) ?
Ca1 Ca4 Ca1 3_444 . 4_454 102.87(10) ?
Ca1 Ca4 Ca2 3_444 . 1_455 43.48(8) ?
Ca1 Ca4 Ca2 3_444 . . 38.38(8) ?
Ca1 Ca4 Ca2 3_444 . 2_443 74.67(8) ?
Ca1 Ca4 Ca2 3_444 . 3_444 179.58(10) ?
Ca1 Ca4 Ca4 3_444 . 1_455 89.94(10) ?
Ca1 Ca4 Ca4 3_444 . 1_655 90.06(10) ?
Ca1 Ca4 Ca4 3_444 . 3_344 128.09(13) ?
Ca1 Ca4 Ca4 3_444 . 3_444 133.88(14) ?
Ca1 Ca4 O1 3_444 . 4_354 80.8(4) ?
Ca1 Ca4 O3 3_444 . 2_444 111.8(3) ?
Ca1 Ca4 O3 3_444 . 4_354 119.8(3) ?
Ca1 Ca4 O3 3_444 . 4_454 119.9(3) ?
Ca1 Ca4 O6 3_444 . . 8.9(3) ?
Ca1 Ca4 O8 3_444 . 1_455 78.8(3) ?
Ca1 Ca4 O8 3_444 . . 78.6(3) ?
Ca1 Ca4 O8 3_444 . 3_444 170.4(3) ?
Ca1 Ca4 O9 3_444 . 4_354 58.1(3) ?
Ca1 Ca4 O9 3_444 . 4_454 55.9(3) ?
Ca1 Ca4 C1 3_444 . 3_444 27.2(2) ?
Ca1 Ca4 C1 3_444 . 4_454 57.4(3) ?
Ca1 Ca4 C3 3_444 . 2_444 149.7(4) ?
Ca1 Ca4 C3 3_444 . 4_354 84.6(4) ?
Ca1 Ca4 Ca1 4_354 . 4_454 58.50(11) ?
Ca1 Ca4 Ca2 4_354 . 1_455 104.23(11) ?
Ca1 Ca4 Ca2 4_354 . . 139.80(12) ?
Ca1 Ca4 Ca2 4_354 . 2_443 38.60(8) ?
Ca1 Ca4 Ca2 4_354 . 3_444 76.91(10) ?
Ca1 Ca4 Ca4 4_354 . 1_455 60.58(11) ?
Ca1 Ca4 Ca4 4_354 . 1_655 119.42(14) ?
Ca1 Ca4 Ca4 4_354 . 3_344 87.29(12) ?
Ca1 Ca4 Ca4 4_354 . 3_444 122.24(16) ?
Ca1 Ca4 O1 4_354 . 4_354 37.1(3) ?
Ca1 Ca4 O3 4_354 . 2_444 129.1(3) ?
Ca1 Ca4 O3 4_354 . 4_354 37.7(3) ?
Ca1 Ca4 O3 4_354 . 4_454 89.5(3) ?
Ca1 Ca4 O6 4_354 . . 105.8(3) ?
Ca1 Ca4 O8 4_354 . 1_455 96.9(3) ?
Ca1 Ca4 O8 4_354 . . 156.9(3) ?
Ca1 Ca4 O8 4_354 . 3_444 80.3(3) ?
Ca1 Ca4 O9 4_354 . 4_354 53.2(3) ?
Ca1 Ca4 O9 4_354 . 4_454 95.3(3) ?
Ca1 Ca4 C1 4_354 . 3_444 77.2(3) ?
Ca1 Ca4 C1 4_354 . 4_454 65.6(2) ?
Ca1 Ca4 C3 4_354 . 2_444 49.1(4) ?
Ca1 Ca4 C3 4_354 . 4_354 126.4(3) ?
Ca1 Ca4 Ca2 4_454 . 1_455 141.37(11) ?
Ca1 Ca4 Ca2 4_454 . . 110.63(12) ?
Ca1 Ca4 Ca2 4_454 . 2_443 43.45(8) ?
Ca1 Ca4 Ca2 4_454 . 3_444 77.19(10) ?
Ca1 Ca4 Ca4 4_454 . 1_455 119.08(14) ?
Ca1 Ca4 Ca4 4_454 . 1_655 60.92(11) ?
Ca1 Ca4 Ca4 4_454 . 3_344 124.61(15) ?
Ca1 Ca4 Ca4 4_454 . 3_444 93.25(13) ?
Ca1 Ca4 O1 4_454 . 4_354 37.0(3) ?
Ca1 Ca4 O3 4_454 . 2_444 139.1(3) ?
Ca1 Ca4 O3 4_454 . 4_354 89.1(3) ?
Ca1 Ca4 O3 4_454 . 4_454 37.9(3) ?
Ca1 Ca4 O6 4_454 . . 111.6(3) ?
Ca1 Ca4 O8 4_454 . 1_455 155.2(3) ?
Ca1 Ca4 O8 4_454 . . 98.5(3) ?
Ca1 Ca4 O8 4_454 . 3_444 86.5(3) ?
Ca1 Ca4 O9 4_454 . 4_354 97.1(3) ?
Ca1 Ca4 O9 4_454 . 4_454 53.8(4) ?
Ca1 Ca4 C1 4_454 . 3_444 97.0(3) ?
Ca1 Ca4 C1 4_454 . 4_454 46.6(2) ?
Ca1 Ca4 C3 4_454 . 2_444 73.6(4) ?
Ca1 Ca4 C3 4_454 . 4_354 170.3(4) ?
Ca2 Ca4 Ca2 1_455 . . 58.12(11) ?
Ca2 Ca4 Ca2 1_455 . 2_443 100.36(10) ?
Ca2 Ca4 Ca2 1_455 . 3_444 136.30(10) ?
Ca2 Ca4 Ca4 1_455 . 1_455 56.90(10) ?
Ca2 Ca4 Ca4 1_455 . 1_655 123.10(14) ?
Ca2 Ca4 Ca4 1_455 . 3_344 84.61(11) ?
Ca2 Ca4 Ca4 1_455 . 3_444 123.14(15) ?
Ca2 Ca4 O1 1_455 . 4_354 107.3(3) ?
Ca2 Ca4 O3 1_455 . 2_444 79.3(3) ?
Ca2 Ca4 O3 1_455 . 4_354 94.1(3) ?
Ca2 Ca4 O3 1_455 . 4_454 160.1(3) ?
Ca2 Ca4 O6 1_455 . . 34.9(3) ?
Ca2 Ca4 O8 1_455 . 1_455 35.4(3) ?
Ca2 Ca4 O8 1_455 . . 92.6(3) ?
Ca2 Ca4 O8 1_455 . 3_444 127.1(2) ?
Ca2 Ca4 O9 1_455 . 4_354 52.3(3) ?
Ca2 Ca4 O9 1_455 . 4_454 99.3(3) ?
Ca2 Ca4 C1 1_455 . 3_444 44.4(2) ?
Ca2 Ca4 C1 1_455 . 4_454 95.4(2) ?
Ca2 Ca4 C3 1_455 . 2_444 123.7(3) ?
Ca2 Ca4 C3 1_455 . 4_354 48.1(4) ?
Ca2 Ca4 Ca2 . . 2_443 104.75(10) ?
Ca2 Ca4 Ca2 . . 3_444 141.99(11) ?
Ca2 Ca4 Ca4 . . 1_455 115.02(14) ?
Ca2 Ca4 Ca4 . . 1_655 64.98(11) ?
Ca2 Ca4 Ca4 . . 3_344 122.38(15) ?
Ca2 Ca4 Ca4 . . 3_444 95.50(14) ?
Ca2 Ca4 O1 . . 4_354 108.9(3) ?
Ca2 Ca4 O3 . . 2_444 85.9(3) ?
Ca2 Ca4 O3 . . 4_354 152.1(3) ?
Ca2 Ca4 O3 . . 4_454 102.1(3) ?
Ca2 Ca4 O6 . . . 38.0(3) ?
Ca2 Ca4 O8 . . 1_455 86.3(3) ?
Ca2 Ca4 O8 . . . 41.2(3) ?
Ca2 Ca4 O8 . . 3_444 139.8(3) ?
Ca2 Ca4 O9 . . 4_354 95.1(3) ?
Ca2 Ca4 O9 . . 4_454 57.8(4) ?
Ca2 Ca4 C1 . . 3_444 65.4(2) ?
Ca2 Ca4 C1 . . 4_454 79.6(3) ?
Ca2 Ca4 C3 . . 2_444 171.1(4) ?
Ca2 Ca4 C3 . . 4_354 71.4(4) ?
Ca2 Ca4 Ca2 2_443 . 3_444 105.16(11) ?
Ca2 Ca4 Ca4 2_443 . 1_455 86.60(10) ?
Ca2 Ca4 Ca4 2_443 . 1_655 93.40(10) ?
Ca2 Ca4 Ca4 2_443 . 3_344 125.53(13) ?
Ca2 Ca4 Ca4 2_443 . 3_444 136.27(15) ?
Ca2 Ca4 O1 2_443 . 4_354 7.0(3) ?
Ca2 Ca4 O3 2_443 . 2_444 167.4(3) ?
Ca2 Ca4 O3 2_443 . 4_354 75.7(3) ?
Ca2 Ca4 O3 2_443 . 4_454 81.2(3) ?
Ca2 Ca4 O6 2_443 . . 81.3(3) ?
Ca2 Ca4 O8 2_443 . 1_455 116.2(3) ?
Ca2 Ca4 O8 2_443 . . 123.4(3) ?
Ca2 Ca4 O8 2_443 . 3_444 111.9(3) ?
Ca2 Ca4 O9 2_443 . 4_354 54.2(3) ?
Ca2 Ca4 O9 2_443 . 4_454 57.7(3) ?
Ca2 Ca4 C1 2_443 . 3_444 57.5(3) ?
Ca2 Ca4 C1 2_443 . 4_454 27.0(2) ?
Ca2 Ca4 C3 2_443 . 2_444 83.7(4) ?
Ca2 Ca4 C3 2_443 . 4_354 146.1(4) ?
Ca2 Ca4 Ca4 3_444 . 1_455 89.67(10) ?
Ca2 Ca4 Ca4 3_444 . 1_655 90.33(10) ?
Ca2 Ca4 Ca4 3_444 . 3_344 51.69(9) ?
Ca2 Ca4 Ca4 3_444 . 3_444 46.49(10) ?
Ca2 Ca4 O1 3_444 . 4_354 99.0(4) ?
Ca2 Ca4 O3 3_444 . 2_444 68.3(3) ?
Ca2 Ca4 O3 3_444 . 4_354 59.8(3) ?
Ca2 Ca4 O3 3_444 . 4_454 60.4(3) ?
Ca2 Ca4 O6 3_444 . . 171.0(3) ?
Ca2 Ca4 O8 3_444 . 1_455 100.9(3) ?
Ca2 Ca4 O8 3_444 . . 101.8(3) ?
Ca2 Ca4 O8 3_444 . 3_444 9.4(2) ?
Ca2 Ca4 O9 3_444 . 4_354 121.5(3) ?
Ca2 Ca4 O9 3_444 . 4_454 124.3(3) ?
Ca2 Ca4 C1 3_444 . 3_444 152.4(3) ?
Ca2 Ca4 C1 3_444 . 4_454 122.6(3) ?
Ca2 Ca4 C3 3_444 . 2_444 29.9(4) ?
Ca2 Ca4 C3 3_444 . 4_354 95.4(4) ?
Ca4 Ca4 Ca4 1_455 . 1_655 180 ?
Ca4 Ca4 Ca4 1_455 . 3_344 51.05(8) ?
Ca4 Ca4 Ca4 1_455 . 3_444 119.26(12) ?
Ca4 Ca4 O1 1_455 . 4_354 89.9(2) ?
Ca4 Ca4 O3 1_455 . 2_444 82.7(2) ?
Ca4 Ca4 O3 1_455 . 4_354 37.3(3) ?
Ca4 Ca4 O3 1_455 . 4_454 142.7(3) ?
Ca4 Ca4 O6 1_455 . . 84.3(2) ?
Ca4 Ca4 O8 1_455 . 1_455 36.4(3) ?
Ca4 Ca4 O8 1_455 . . 142.3(3) ?
Ca4 Ca4 O8 1_455 . 3_444 83.7(2) ?
Ca4 Ca4 O9 1_455 . 4_354 42.3(2) ?
Ca4 Ca4 O9 1_455 . 4_454 134.3(2) ?
Ca4 Ca4 C1 1_455 . 3_444 69.4(2) ?
Ca4 Ca4 C1 1_455 . 4_454 106.2(2) ?
Ca4 Ca4 C3 1_455 . 2_444 67.5(3) ?
Ca4 Ca4 C3 1_455 . 4_354 66.5(3) ?
Ca4 Ca4 Ca4 1_655 . 3_344 128.95(11) ?
Ca4 Ca4 Ca4 1_655 . 3_444 60.74(9) ?
Ca4 Ca4 O1 1_655 . 4_354 90.1(2) ?
Ca4 Ca4 O3 1_655 . 2_444 97.3(2) ?
Ca4 Ca4 O3 1_655 . 4_354 142.7(3) ?
Ca4 Ca4 O3 1_655 . 4_454 37.3(3) ?
Ca4 Ca4 O6 1_655 . . 95.7(2) ?
Ca4 Ca4 O8 1_655 . 1_455 143.6(3) ?
Ca4 Ca4 O8 1_655 . . 37.7(3) ?
Ca4 Ca4 O8 1_655 . 3_444 96.3(2) ?
Ca4 Ca4 O9 1_655 . 4_354 137.7(2) ?
Ca4 Ca4 O9 1_655 . 4_454 45.7(2) ?
Ca4 Ca4 C1 1_655 . 3_444 110.6(2) ?
Ca4 Ca4 C1 1_655 . 4_454 73.8(2) ?
Ca4 Ca4 C3 1_655 . 2_444 112.5(3) ?
Ca4 Ca4 C3 1_655 . 4_354 113.5(3) ?
Ca4 Ca4 Ca4 3_344 . 3_444 68.21(10) ?
Ca4 Ca4 O1 3_344 . 4_354 124.3(3) ?
Ca4 Ca4 O3 3_344 . 2_444 41.9(2) ?
Ca4 Ca4 O3 3_344 . 4_354 49.9(3) ?
Ca4 Ca4 O3 3_344 . 4_454 110.8(3) ?
Ca4 Ca4 O6 3_344 . . 119.4(3) ?
Ca4 Ca4 O8 3_344 . 1_455 49.3(3) ?
Ca4 Ca4 O8 3_344 . . 110.3(3) ?
Ca4 Ca4 O8 3_344 . 3_444 42.6(2) ?
Ca4 Ca4 O9 3_344 . 4_354 93.3(2) ?
Ca4 Ca4 O9 3_344 . 4_454 174.6(2) ?
Ca4 Ca4 C1 3_344 . 3_444 117.8(2) ?
Ca4 Ca4 C1 3_344 . 4_454 152.1(3) ?
Ca4 Ca4 C3 3_344 . 2_444 51.7(4) ?
Ca4 Ca4 C3 3_344 . 4_354 51.4(4) ?
Ca4 Ca4 O1 3_444 . 4_354 129.4(3) ?
Ca4 Ca4 O3 3_444 . 2_444 46.9(2) ?
Ca4 Ca4 O3 3_444 . 4_354 103.1(3) ?
Ca4 Ca4 O3 3_444 . 4_454 56.6(3) ?
Ca4 Ca4 O6 3_444 . . 132.0(3) ?
Ca4 Ca4 O8 3_444 . 1_455 103.3(3) ?
Ca4 Ca4 O8 3_444 . . 56.2(3) ?
Ca4 Ca4 O8 3_444 . 3_444 46.0(2) ?
Ca4 Ca4 O9 3_444 . 4_354 161.5(2) ?
Ca4 Ca4 O9 3_444 . 4_454 106.4(2) ?
Ca4 Ca4 C1 3_444 . 3_444 160.6(3) ?
Ca4 Ca4 C1 3_444 . 4_454 131.2(2) ?
Ca4 Ca4 C3 3_444 . 2_444 76.3(4) ?
Ca4 Ca4 C3 3_444 . 4_354 77.0(4) ?
O1 Ca4 O3 4_354 . 2_444 165.2(5) ?
O1 Ca4 O3 4_354 . 4_354 74.8(4) ?
O1 Ca4 O3 4_354 . 4_454 74.9(4) ?
O1 Ca4 O6 4_354 . . 87.8(5) ?
O1 Ca4 O8 4_354 . 1_455 121.4(4) ?
O1 Ca4 O8 4_354 . . 122.7(4) ?
O1 Ca4 O8 4_354 . 3_444 106.2(5) ?
O1 Ca4 O9 4_354 . 4_354 60.2(4) ?
O1 Ca4 O9 4_354 . 4_454 58.2(4) ?
O1 Ca4 C1 4_354 . 3_444 64.5(4) ?
O1 Ca4 C1 4_354 . 4_454 29.5(4) ?
O1 Ca4 C3 4_354 . 2_444 79.3(5) ?
O1 Ca4 C3 4_354 . 4_354 152.3(4) ?
O3 Ca4 O3 2_444 . 4_354 91.8(4) ?
O3 Ca4 O3 2_444 . 4_454 103.4(4) ?
O3 Ca4 O6 2_444 . . 104.2(5) ?
O3 Ca4 O8 2_444 . 1_455 56.9(3) ?
O3 Ca4 O8 2_444 . . 69.0(3) ?
O3 Ca4 O8 2_444 . 3_444 60.4(4) ?
O3 Ca4 O9 2_444 . 4_354 119.1(3) ?
O3 Ca4 O9 2_444 . 4_454 134.9(4) ?
O3 Ca4 C1 2_444 . 3_444 123.7(4) ?
O3 Ca4 C1 2_444 . 4_454 165.1(4) ?
O3 Ca4 C3 2_444 . 2_444 86.0(5) ?
O3 Ca4 C3 2_444 . 4_354 31.3(5) ?
O3 Ca4 O3 4_354 . 4_454 105.4(5) ?
O3 Ca4 O6 4_354 . . 117.1(4) ?
O3 Ca4 O8 4_354 . 1_455 69.4(4) ?
O3 Ca4 O8 4_354 . . 158.1(4) ?
O3 Ca4 O8 4_354 . 3_444 57.5(4) ?
O3 Ca4 O9 4_354 . 4_354 62.0(4) ?
O3 Ca4 O9 4_354 . 4_454 133.0(5) ?
O3 Ca4 C1 4_354 . 3_444 93.6(4) ?
O3 Ca4 C1 4_354 . 4_454 102.5(4) ?
O3 Ca4 C3 4_354 . 2_444 32.0(4) ?
O3 Ca4 C3 4_354 . 4_354 92.5(5) ?
O3 Ca4 O6 4_454 . . 127.7(4) ?
O3 Ca4 O8 4_454 . 1_455 158.4(4) ?
O3 Ca4 O8 4_454 . . 70.6(4) ?
O3 Ca4 O8 4_454 . 3_444 68.9(4) ?
O3 Ca4 O9 4_454 . 4_354 135.0(5) ?
O3 Ca4 O9 4_454 . 4_454 64.6(4) ?
O3 Ca4 C1 4_454 . 3_444 128.4(4) ?
O3 Ca4 C1 4_454 . 4_454 76.9(4) ?
O3 Ca4 C3 4_454 . 2_444 76.2(4) ?
O3 Ca4 C3 4_454 . 4_354 132.7(5) ?
O6 Ca4 O8 . . 1_455 70.3(4) ?
O6 Ca4 O8 . . . 79.2(4) ?
O6 Ca4 O8 . . 3_444 161.5(4) ?
O6 Ca4 O9 . . 4_354 57.1(4) ?
O6 Ca4 O9 . . 4_454 64.4(4) ?
O6 Ca4 C1 . . 3_444 28.6(4) ?
O6 Ca4 C1 . . 4_454 65.8(4) ?
O6 Ca4 C3 . . 2_444 148.7(4) ?
O6 Ca4 C3 . . 4_354 76.1(5) ?
O8 Ca4 O8 1_455 . . 106.0(4) ?
O8 Ca4 O8 1_455 . 3_444 91.8(3) ?
O8 Ca4 O9 1_455 . 4_354 62.4(4) ?
O8 Ca4 O9 1_455 . 4_454 134.7(4) ?
O8 Ca4 C1 1_455 . 3_444 73.1(4) ?
O8 Ca4 C1 1_455 . 4_454 124.5(4) ?
O8 Ca4 C3 1_455 . 2_444 92.4(4) ?
O8 Ca4 C3 1_455 . 4_354 31.7(4) ?
O8 Ca4 O8 . . 3_444 102.2(4) ?
O8 Ca4 O9 . . 4_354 136.3(4) ?
O8 Ca4 O9 . . 4_454 66.0(4) ?
O8 Ca4 C1 . . 3_444 105.7(4) ?
O8 Ca4 C1 . . 4_454 97.6(4) ?
O8 Ca4 C3 . . 2_444 131.6(5) ?
O8 Ca4 C3 . . 4_354 76.7(4) ?
O8 Ca4 O9 3_444 . 4_354 119.3(3) ?
O8 Ca4 O9 3_444 . 4_454 133.2(4) ?
O8 Ca4 C1 3_444 . 3_444 151.0(3) ?
O8 Ca4 C1 3_444 . 4_454 131.4(4) ?
O8 Ca4 C3 3_444 . 2_444 31.4(5) ?
O8 Ca4 C3 3_444 . 4_354 86.3(5) ?
O9 Ca4 O9 4_354 . 4_454 92.0(3) ?
O9 Ca4 C1 4_354 . 3_444 31.7(3) ?
O9 Ca4 C1 4_354 . 4_454 65.8(3) ?
O9 Ca4 C3 4_354 . 2_444 92.0(5) ?
O9 Ca4 C3 4_354 . 4_354 92.1(5) ?
O9 Ca4 C1 4_454 . 3_444 67.5(3) ?
O9 Ca4 C1 4_454 . 4_454 31.8(3) ?
O9 Ca4 C3 4_454 . 2_444 127.4(5) ?
O9 Ca4 C3 4_454 . 4_354 129.2(5) ?
C1 Ca4 C1 3_444 . 4_454 52.1(3) ?
C1 Ca4 C3 3_444 . 2_444 122.5(4) ?
C1 Ca4 C3 3_444 . 4_354 92.5(5) ?
C1 Ca4 C3 4_454 . 2_444 108.2(5) ?
C1 Ca4 C3 4_454 . 4_354 141.8(5) ?
C3 Ca4 C3 2_444 . 4_354 103.1(5) ?
Ca1 O1 Ca1 1_455 . . 103.0(6) ?
Ca1 O1 Ca2 1_455 . 3_444 87.2(5) ?
Ca1 O1 Ca4 1_455 . 4_355 104.9(5) ?
Ca1 O1 C1 1_455 . 1_455 89.9(6) ?
Ca1 O1 Ca2 . . 3_444 76.8(4) ?
Ca1 O1 Ca4 . . 4_355 105.3(5) ?
Ca1 O1 C1 . . 1_455 151.1(9) ?
Ca2 O1 Ca4 3_444 . 4_355 166.6(6) ?
Ca2 O1 C1 3_444 . 1_455 78.1(7) ?
Ca4 O1 C1 4_355 . 1_455 95.9(9) ?
Ca1 O2 Ca2 3_444 . 1_455 86.7(5) ?
Ca1 O2 Ca2 3_444 . . 76.9(5) ?
Ca1 O2 Ca3 3_444 . 4_364 166.8(7) ?
Ca1 O2 C2 3_444 . 1_455 78.4(10) ?
Ca2 O2 Ca2 1_455 . . 102.9(7) ?
Ca2 O2 Ca3 1_455 . 4_364 104.8(5) ?
Ca2 O2 C2 1_455 . 1_455 88.4(8) ?
Ca2 O2 Ca3 . . 4_364 106.1(5) ?
Ca2 O2 C2 . . 1_455 152.1(12) ?
Ca3 O2 C2 4_364 . 1_455 95.2(11) ?
Ca1 O3 Ca4 . . 2_544 163.7(6) ?
Ca1 O3 Ca4 . . 4_355 106.5(4) ?
Ca1 O3 Ca4 . . 4_455 105.5(4) ?
Ca1 O3 C3 . . 3_445 92.4(10) ?
Ca4 O3 Ca4 2_544 . 4_355 88.0(4) ?
Ca4 O3 Ca4 2_544 . 4_455 76.8(4) ?
Ca4 O3 C3 2_544 . 3_445 79.6(9) ?
Ca4 O3 Ca4 4_355 . 4_455 105.4(6) ?
Ca4 O3 C3 4_355 . 3_445 91.4(7) ?
Ca4 O3 C3 4_455 . 3_445 150.3(10) ?
Ca2 O4 Ca3 . . 2_544 163.6(5) ?
Ca2 O4 Ca3 . . 4_364 107.1(4) ?
Ca2 O4 Ca3 . . 4_464 105.4(4) ?
Ca2 O4 C4 . . 3_444 93.8(8) ?
Ca3 O4 Ca3 2_544 . 4_364 87.7(4) ?
Ca3 O4 Ca3 2_544 . 4_464 76.6(3) ?
Ca3 O4 C4 2_544 . 3_444 78.4(7) ?
Ca3 O4 Ca3 4_364 . 4_464 104.8(5) ?
Ca3 O4 C4 4_364 . 3_444 91.9(6) ?
Ca3 O4 C4 4_464 . 3_444 149.2(8) ?
Ca1 O5 Ca1 1_455 . . 103.5(6) ?
Ca1 O5 Ca2 1_455 . 3_444 86.1(4) ?
Ca1 O5 Ca3 1_455 . . 110.2(5) ?
Ca1 O5 C2 1_455 . 3_444 86.0(7) ?
Ca1 O5 Ca2 . . 3_444 77.7(4) ?
Ca1 O5 Ca3 . . . 101.6(5) ?
Ca1 O5 C2 . . 3_444 149.5(10) ?
Ca2 O5 Ca3 3_444 . . 163.2(6) ?
Ca2 O5 C2 3_444 . 3_444 74.1(8) ?
Ca3 O5 C2 . . 3_444 102.0(9) ?
Ca1 O6 Ca2 3_444 . 1_455 86.7(4) ?
Ca1 O6 Ca2 3_444 . . 78.3(4) ?
Ca1 O6 Ca4 3_444 . . 163.0(5) ?
Ca1 O6 C1 3_444 . 3_444 79.4(7) ?
Ca2 O6 Ca2 1_455 . . 104.2(5) ?
Ca2 O6 Ca4 1_455 . . 109.7(5) ?
Ca2 O6 C1 1_455 . 3_444 89.3(6) ?
Ca2 O6 Ca4 . . . 101.1(4) ?
Ca2 O6 C1 . . 3_444 153.2(9) ?
Ca4 O6 C1 . . 3_444 95.8(8) ?
Ca1 O7 Ca3 . . . 100.6(4) ?
Ca1 O7 Ca3 . . 1_655 109.8(5) ?
Ca1 O7 Ca3 . . 3_435 162.3(5) ?
Ca1 O7 C4 . . 4_455 94.0(9) ?
Ca3 O7 Ca3 . . 1_655 104.3(5) ?
Ca3 O7 Ca3 . . 3_435 77.9(4) ?
Ca3 O7 C4 . . 4_455 153.2(9) ?
Ca3 O7 Ca3 1_655 . 3_435 87.5(4) ?
Ca3 O7 C4 1_655 . 4_455 91.5(7) ?
Ca3 O7 C4 3_435 . 4_455 81.4(8) ?
Ca2 O8 Ca4 . . . 101.0(4) ?
Ca2 O8 Ca4 . . 1_655 110.7(4) ?
Ca2 O8 Ca4 . . 3_444 160.4(5) ?
Ca2 O8 C3 . . 4_454 94.0(9) ?
Ca4 O8 Ca4 . . 1_655 106.0(5) ?
Ca4 O8 Ca4 . . 3_444 77.8(3) ?
Ca4 O8 C3 . . 4_454 151.3(9) ?
Ca4 O8 Ca4 1_655 . 3_444 88.2(4) ?
Ca4 O8 C3 1_655 . 4_454 91.2(7) ?
Ca4 O8 C3 3_444 . 4_454 80.0(9) ?
Ca4 O9 Ca4 4_355 . 4_455 92.0(3) ?
Ca4 O9 C1 4_355 . . 146.8(9) ?
Ca4 O9 C1 4_355 . 2_444 84.3(5) ?
Ca4 O9 C1 4_455 . . 90.4(5) ?
Ca4 O9 C1 4_455 . 2_444 141.9(9) ?
C1 O9 C1 . . 2_444 112.9(8) ?
Ca3 O10 Ca3 4_364 . 4_464 92.9(3) ?
Ca3 O10 C2 4_364 . . 145.5(9) ?
Ca3 O10 C2 4_364 . 2_453 89.1(6) ?
Ca3 O10 C2 4_464 . . 85.7(6) ?
Ca3 O10 C2 4_464 . 2_453 139.8(9) ?
C2 O10 C2 . . 2_453 113.8(10) ?
Ca1 O11 Ca1 1_455 . . 93.2(4) ?
Ca1 O11 C3 1_455 . 3_445 145.1(12) ?
Ca1 O11 C4 1_455 . 4_355 84.4(7) ?
Ca1 O11 C3 . . 3_445 88.9(8) ?
Ca1 O11 C4 . . 4_355 146.9(12) ?
C3 O11 C4 3_445 . 4_355 111.7(12) ?
Ca2 O12 Ca2 1_455 . . 93.9(5) ?
Ca2 O12 C3 1_455 . 4_354 85.6(8) ?
Ca2 O12 C4 1_455 . 3_444 147.7(12) ?
Ca2 O12 C3 . . 4_354 145.1(13) ?
Ca2 O12 C4 . . 3_444 91.2(7) ?
C3 O12 C4 4_354 . 3_444 107.6(12) ?
Ca1 C1 Ca2 . . 3_544 77.8(3) ?
Ca1 C1 Ca4 . . 3_444 123.9(4) ?
Ca1 C1 Ca4 . . 4_455 82.8(3) ?
Ca1 C1 O1 . . 1_655 58.4(6) ?
Ca1 C1 O6 . . 3_444 70.6(7) ?
Ca1 C1 O9 . . . 85.3(7) ?
Ca1 C1 O9 . . 2_544 163.3(8) ?
Ca2 C1 Ca4 3_544 . 3_444 87.7(3) ?
Ca2 C1 Ca4 3_544 . 4_455 124.2(4) ?
Ca2 C1 O1 3_544 . 1_655 70.9(7) ?
Ca2 C1 O6 3_544 . 3_444 60.1(6) ?
Ca2 C1 O9 3_544 . . 162.2(8) ?
Ca2 C1 O9 3_544 . 2_544 88.5(7) ?
Ca4 C1 Ca4 3_444 . 4_455 144.0(5) ?
Ca4 C1 O1 3_444 . 1_655 157.7(8) ?
Ca4 C1 O6 3_444 . 3_444 55.6(7) ?
Ca4 C1 O9 3_444 . . 97.5(6) ?
Ca4 C1 O9 3_444 . 2_544 64.0(5) ?
Ca4 C1 O1 4_455 . 1_655 54.5(7) ?
Ca4 C1 O6 4_455 . 3_444 151.7(8) ?
Ca4 C1 O9 4_455 . . 57.7(5) ?
Ca4 C1 O9 4_455 . 2_544 97.5(6) ?
O1 C1 O6 1_655 . 3_444 114.5(11) ?
O1 C1 O9 1_655 . . 104.7(9) ?
O1 C1 O9 1_655 . 2_544 108.3(8) ?
O6 C1 O9 3_444 . . 109.3(8) ?
O6 C1 O9 3_444 . 2_544 110.7(10) ?
O9 C1 O9 . . 2_544 109.1(10) ?
Ca1 C2 Ca2 3_544 . . 79.8(4) ?
Ca1 C2 Ca3 3_544 . 3_444 85.1(5) ?
Ca1 C2 Ca3 3_544 . 4_464 129.5(5) ?
Ca1 C2 O2 3_544 . 1_655 73.5(10) ?
Ca1 C2 O5 3_544 . 3_444 61.2(7) ?
Ca1 C2 O10 3_544 . . 162.2(9) ?
Ca1 C2 O10 3_544 . 2_553 88.4(8) ?
Ca2 C2 Ca3 . . 3_444 121.3(5) ?
Ca2 C2 Ca3 . . 4_464 86.4(5) ?
Ca2 C2 O2 . . 1_655 62.3(8) ?
Ca2 C2 O5 . . 3_444 73.7(8) ?
Ca2 C2 O10 . . . 86.9(8) ?
Ca2 C2 O10 . . 2_553 168.0(10) ?
Ca3 C2 Ca3 3_444 . 4_464 141.1(6) ?
Ca3 C2 O2 3_444 . 1_655 157.6(12) ?
Ca3 C2 O5 3_444 . 3_444 49.7(7) ?
Ca3 C2 O10 3_444 . . 91.9(7) ?
Ca3 C2 O10 3_444 . 2_553 58.8(6) ?
Ca3 C2 O2 4_464 . 1_655 57.2(10) ?
Ca3 C2 O5 4_464 . 3_444 155.8(10) ?
Ca3 C2 O10 4_464 . . 60.6(6) ?
Ca3 C2 O10 4_464 . 2_553 99.8(8) ?
O2 C2 O5 1_655 . 3_444 121.1(14) ?
O2 C2 O10 1_655 . . 110.6(13) ?
O2 C2 O10 1_655 . 2_553 112.6(10) ?
O5 C2 O10 3_444 . . 103.8(9) ?
O5 C2 O10 3_444 . 2_553 102.3(11) ?
O10 C2 O10 . . 2_553 105.1(11) ?
Ca1 C3 Ca2 3_445 . 4_455 145.2(7) ?
Ca1 C3 Ca4 3_445 . 2_544 84.0(6) ?
Ca1 C3 Ca4 3_445 . 4_355 124.1(6) ?
Ca1 C3 O3 3_445 . 3_445 56.7(8) ?
Ca1 C3 O8 3_445 . 4_455 152.0(11) ?
Ca1 C3 O11 3_445 . 3_445 58.6(8) ?
Ca1 C3 O12 3_445 . 4_355 100.6(10) ?
Ca2 C3 Ca4 4_455 . 2_544 121.8(6) ?
Ca2 C3 Ca4 4_455 . 4_355 86.9(6) ?
Ca2 C3 O3 4_455 . 3_445 155.8(12) ?
Ca2 C3 O8 4_455 . 4_455 55.9(8) ?
Ca2 C3 O11 4_455 . 3_445 97.2(9) ?
Ca2 C3 O12 4_455 . 4_355 62.6(8) ?
Ca4 C3 Ca4 2_544 . 4_355 76.8(5) ?
Ca4 C3 O3 2_544 . 3_445 56.5(7) ?
Ca4 C3 O8 2_544 . 4_455 68.7(8) ?
Ca4 C3 O11 2_544 . 3_445 86.5(10) ?
Ca4 C3 O12 2_544 . 4_355 161.9(12) ?
Ca4 C3 O3 4_355 . 3_445 69.1(8) ?
Ca4 C3 O8 4_355 . 4_455 57.1(7) ?
Ca4 C3 O11 4_355 . 3_445 162.3(11) ?
Ca4 C3 O12 4_355 . 4_355 86.2(10) ?
O3 C3 O8 3_445 . 4_455 109.2(14) ?
O3 C3 O11 3_445 . 3_445 106.5(14) ?
O3 C3 O12 3_445 . 4_355 111.5(11) ?
O8 C3 O11 4_455 . 3_445 111.4(10) ?
O8 C3 O12 4_455 . 4_355 107.3(14) ?
O11 C3 O12 3_445 . 4_355 111.0(15) ?
Ca1 C4 Ca2 4_454 . 3_444 146.0(6) ?
Ca1 C4 Ca3 4_454 . 2_534 122.8(5) ?
Ca1 C4 Ca3 4_454 . 4_354 87.2(5) ?
Ca1 C4 O4 4_454 . 3_444 156.7(10) ?
Ca1 C4 O7 4_454 . 4_454 56.5(7) ?
Ca1 C4 O11 4_454 . 4_354 64.6(7) ?
Ca1 C4 O12 4_454 . 3_444 100.3(8) ?
Ca2 C4 Ca3 3_444 . 2_534 82.8(4) ?
Ca2 C4 Ca3 3_444 . 4_354 122.9(5) ?
Ca2 C4 O4 3_444 . 3_444 55.0(7) ?
Ca2 C4 O7 3_444 . 4_454 150.6(10) ?
Ca2 C4 O11 3_444 . 4_354 99.7(8) ?
Ca2 C4 O12 3_444 . 3_444 56.9(7) ?
Ca3 C4 Ca3 2_534 . 4_354 76.5(4) ?
Ca3 C4 O4 2_534 . 3_444 55.5(6) ?
Ca3 C4 O7 2_534 . 4_454 68.6(8) ?
Ca3 C4 O11 2_534 . 4_354 159.7(10) ?
Ca3 C4 O12 2_534 . 3_444 84.3(9) ?
Ca3 C4 O4 4_354 . 3_444 69.7(7) ?
Ca3 C4 O7 4_354 . 4_454 58.0(7) ?
Ca3 C4 O11 4_354 . 4_354 85.4(9) ?
Ca3 C4 O12 4_354 . 3_444 160.5(11) ?
O4 C4 O7 3_444 . 4_454 109.7(12) ?
O4 C4 O11 3_444 . 4_354 109.5(9) ?
O4 C4 O12 3_444 . 3_444 102.4(12) ?
O7 C4 O11 4_454 . 4_354 109.4(12) ?
O7 C4 O12 4_454 . 3_444 111.4(10) ?
O11 C4 O12 4_354 . 3_444 114.1(13) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



_exptl_crystal_recrystallization_method 'From the Melt'
