data_VESTA_phase_1
_audit_creation_method         'generated by Pavel Gavryushkin'
_publ_section_comment
;
(Imported from a Crystallographic Information File (CIF) file.)



Comment:  (Imported from a Crystallographic Information File (CIF) file.) 
   Comment: (Imported from a Crystallographic Information File (CIF) file.
)  American Mineralogist Crystal Structures Database code: 0018852 Chemical 
 compound source: natural. unknown locality Chemical formula (sum): Ca C 
O3  Crystal structure data from: Ye Y. Smyth J R. Boni P (2012) Crystal structure 
 and thermal expansion of aragonite-group carbonates by single-crystal X-
  ray diffraction Note: T = 300 K. high-temperature experiment. American 
Mineralogist  97:707-712
;
_cell_length_a                   70.130287
_cell_length_b                   8.118495
_cell_length_c                   5.050579
_cell_angle_alpha               90.049301
_cell_angle_beta                89.992264
_cell_angle_gamma               90.006180

_symmetry_space_group_name_H-M     'P 1'
_symmetry_Int_Tables_number         1
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
'+x.+y.+z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca	Ca	1.0	0.271720	0.447591	0.246823
Ca	Ca	1.0	0.313408	0.777525	0.246905
Ca	Ca	1.0	0.270082	0.947598	0.746810
Ca	Ca	1.0	0.311708	0.277625	0.746881
Ca	Ca	1.0	0.188548	0.446318	0.246682
Ca	Ca	1.0	0.230098	0.777809	0.246914
Ca	Ca	1.0	0.186800	0.948988	0.747206
Ca	Ca	1.0	0.228377	0.277315	0.746896
Ca	Ca	1.0	0.147301	0.783475	0.257236
Ca	Ca	1.0	0.604776	0.949246	0.751245
Ca	Ca	1.0	0.146130	0.271772	0.754203
Ca	Ca	1.0	0.979833	0.112854	0.246808
Ca	Ca	1.0	0.061372	0.125099	0.264487
Ca	Ca	1.0	0.978173	0.612371	0.746800
Ca	Ca	1.0	0.062221	0.610240	0.752253
Ca	Ca	1.0	0.896405	0.112627	0.246805
Ca	Ca	1.0	0.938078	0.442620	0.246893
Ca	Ca	1.0	0.021906	0.441615	0.246870
Ca	Ca	1.0	0.894700	0.612575	0.746797
Ca	Ca	1.0	0.020127	0.943542	0.747110
Ca	Ca	1.0	0.604435	0.450335	0.247006
Ca	Ca	1.0	0.936381	0.942522	0.746895
Ca	Ca	1.0	0.813073	0.112564	0.246798
Ca	Ca	1.0	0.854702	0.442544	0.246897
Ca	Ca	1.0	0.811374	0.612604	0.746813
Ca	Ca	1.0	0.853069	0.942526	0.746887
Ca	Ca	1.0	0.729711	0.112497	0.246804
Ca	Ca	1.0	0.771405	0.442541	0.246893
Ca	Ca	1.0	0.728069	0.612822	0.746791
Ca	Ca	1.0	0.769704	0.942605	0.746899
Ca	Ca	1.0	0.647833	0.110512	0.251823
Ca	Ca	1.0	0.688214	0.444163	0.247033
Ca	Ca	1.0	0.645188	0.622885	0.747767
Ca	Ca	1.0	0.686428	0.940824	0.746865
Ca	Ca	1.0	0.104124	0.953517	0.783436
Ca	Ca	1.0	0.521649	0.449395	0.246893
Ca	Ca	1.0	0.562385	0.770207	0.244209
Ca	Ca	1.0	0.519940	0.946196	0.746717
Ca	Ca	1.0	0.561343	0.283154	0.745299
Ca	Ca	1.0	0.104090	0.451951	0.280932
Ca	Ca	1.0	0.438401	0.447651	0.246811
Ca	Ca	1.0	0.480079	0.777391	0.246891
Ca	Ca	1.0	0.436686	0.947550	0.746809
Ca	Ca	1.0	0.478373	0.277736	0.746885
Ca	Ca	1.0	0.355073	0.447554	0.246800
Ca	Ca	1.0	0.396695	0.777530	0.246905
Ca	Ca	1.0	0.353375	0.947604	0.746801
Ca	Ca	1.0	0.395060	0.277552	0.746901
C	C	1.0	0.257224	0.599454	0.746975
C	C	1.0	0.298872	0.625786	0.746503
C	C	1.0	0.284626	0.099559	0.246950
C	C	1.0	0.326284	0.125753	0.246595
C	C	1.0	0.173694	0.599608	0.747139
C	C	1.0	0.215555	0.625815	0.746967
C	C	1.0	0.201303	0.099221	0.246974
C	C	1.0	0.242938	0.125780	0.246534
C	C	1.0	0.160982	0.126500	0.245882
C	C	1.0	0.965209	0.264404	0.747018
C	C	1.0	0.048072	0.264703	0.747120
C	C	1.0	0.992697	0.764334	0.246908
C	C	1.0	0.582590	0.107485	0.260487
C	C	1.0	0.881851	0.264486	0.746874
C	C	1.0	0.625560	0.267870	0.747639
C	C	1.0	0.007434	0.290825	0.746599
C	C	1.0	0.923537	0.290702	0.746602
C	C	1.0	0.909279	0.764472	0.246897
C	C	1.0	0.950959	0.790777	0.246857
C	C	1.0	0.035088	0.790327	0.246725
C	C	1.0	0.798524	0.264415	0.746963
C	C	1.0	0.584915	0.618867	0.752092
C	C	1.0	0.840166	0.290840	0.746834
C	C	1.0	0.623297	0.799030	0.248408
C	C	1.0	0.825945	0.764450	0.247007
C	C	1.0	0.867618	0.790794	0.246562
C	C	1.0	0.715172	0.264430	0.746891
C	C	1.0	0.756866	0.290732	0.746605
C	C	1.0	0.742629	0.764418	0.246892
C	C	1.0	0.784281	0.790743	0.246816
C	C	1.0	0.673373	0.291251	0.747084
C	C	1.0	0.660363	0.763188	0.246854
C	C	1.0	0.700966	0.790835	0.246600
C	C	1.0	0.507145	0.599381	0.746919
C	C	1.0	0.084244	0.799674	0.282045
C	C	1.0	0.547709	0.626084	0.746468
C	C	1.0	0.534814	0.099163	0.246798
C	C	1.0	0.124521	0.108574	0.296512
C	C	1.0	0.423859	0.599488	0.746944
C	C	1.0	0.465526	0.625748	0.746477
C	C	1.0	0.451273	0.099536	0.246895
C	C	1.0	0.492952	0.125755	0.246559
C	C	1.0	0.340529	0.599413	0.746894
C	C	1.0	0.382171	0.625738	0.746986
C	C	1.0	0.084805	0.272380	0.779754
C	C	1.0	0.367944	0.099415	0.247024
C	C	1.0	0.125314	0.622888	0.783256
C	C	1.0	0.409573	0.125814	0.246554
O	O	1.0	0.258142	0.438213	0.746365
O	O	1.0	0.299866	0.787010	0.746645
O	O	1.0	0.283658	0.938331	0.246288
O	O	1.0	0.325324	0.287106	0.246775
O	O	1.0	0.174816	0.438238	0.746047
O	O	1.0	0.216507	0.786951	0.746707
O	O	1.0	0.200388	0.938175	0.246298
O	O	1.0	0.241983	0.287015	0.246669
O	O	1.0	0.159701	0.287932	0.241912
O	O	1.0	0.966218	0.103138	0.746388
O	O	1.0	0.048424	0.103724	0.751029
O	O	1.0	0.991720	0.603000	0.246467
O	O	1.0	0.882828	0.103242	0.746261
O	O	1.0	0.008362	0.452146	0.746619
O	O	1.0	0.924455	0.451992	0.746671
O	O	1.0	0.908343	0.603260	0.246219
O	O	1.0	0.950004	0.952054	0.246794
O	O	1.0	0.033775	0.951106	0.246770
O	O	1.0	0.799477	0.103108	0.746410
O	O	1.0	0.841158	0.452087	0.746865
O	O	1.0	0.824956	0.603140	0.246432
O	O	1.0	0.866635	0.952066	0.246713
O	O	1.0	0.716158	0.103262	0.746295
O	O	1.0	0.757833	0.452006	0.746686
O	O	1.0	0.741654	0.603201	0.246270
O	O	1.0	0.783369	0.951995	0.246706
O	O	1.0	0.674373	0.452104	0.747154
O	O	1.0	0.659389	0.601849	0.250700
O	O	1.0	0.700013	0.952022	0.246621
O	O	1.0	0.508126	0.438135	0.746556
O	O	1.0	0.548502	0.786682	0.741877
O	O	1.0	0.533617	0.938594	0.246012
O	O	1.0	0.627605	0.133281	0.608541
O	O	1.0	0.424828	0.438271	0.746395
O	O	1.0	0.466457	0.786964	0.746650
O	O	1.0	0.450359	0.938307	0.246209
O	O	1.0	0.491960	0.287095	0.246723
O	O	1.0	0.623312	0.939374	0.123202
O	O	1.0	0.341457	0.438179	0.746552
O	O	1.0	0.383138	0.787006	0.746678
O	O	1.0	0.366950	0.938182	0.246271
O	O	1.0	0.408673	0.287048	0.246694
O	O	1.0	0.257415	0.681730	0.522054
O	O	1.0	0.582672	-0.028839	0.400918
O	O	1.0	0.299022	0.543739	0.971677
O	O	1.0	0.580454	0.093861	0.005655
O	O	1.0	0.299037	0.543441	0.521652
O	O	1.0	0.257413	0.681659	0.972126
O	O	1.0	0.583036	0.250174	0.362106
O	O	1.0	0.284463	0.181686	0.472138
O	O	1.0	0.624893	0.408145	0.617744
O	O	1.0	0.326159	0.043434	0.021464
O	O	1.0	0.326124	0.043687	0.471771
O	O	1.0	0.284456	0.181920	0.021992
O	O	1.0	0.624668	0.264825	0.008131
O	O	1.0	0.173739	0.681475	0.522117
O	O	1.0	0.215675	0.543693	0.972399
O	O	1.0	0.623568	0.661568	0.111370
O	O	1.0	0.215690	0.543357	0.521785
O	O	1.0	0.173691	0.681154	0.972116
O	O	1.0	0.201155	0.181981	0.471967
O	O	1.0	0.242764	0.043460	0.021467
O	O	1.0	0.584626	0.476864	0.878363
O	O	1.0	0.242787	0.043748	0.471753
O	O	1.0	0.201164	0.181645	0.022117
O	O	1.0	0.584626	0.755317	0.890113
O	O	1.0	0.623795	0.793560	0.507275
O	O	1.0	0.161193	0.041440	0.022964
O	O	1.0	0.160855	0.046785	0.471877
O	O	1.0	0.584948	0.621813	0.492691
O	O	1.0	0.965357	0.346597	0.522008
O	O	1.0	0.048384	0.346531	0.521309
O	O	1.0	0.048397	0.349250	0.969509
O	O	1.0	0.965351	0.346757	0.972041
O	O	1.0	0.992590	0.846718	0.471883
O	O	1.0	0.992577	0.846514	0.021873
O	O	1.0	0.881991	0.346776	0.522004
O	O	1.0	0.923719	0.208619	0.971728
O	O	1.0	0.007582	0.208602	0.971618
O	O	1.0	0.007535	0.208472	0.521384
O	O	1.0	0.923755	0.208473	0.521315
O	O	1.0	0.882002	0.346599	0.972105
O	O	1.0	0.909098	0.846647	0.472045
O	O	1.0	0.035128	0.708677	0.021050
O	O	1.0	0.950828	0.708529	0.021665
O	O	1.0	0.035146	0.708578	0.472035
O	O	1.0	0.950834	0.708725	0.472175
O	O	1.0	0.909112	0.846773	0.022020
O	O	1.0	0.798683	0.346634	0.521990
O	O	1.0	0.840309	0.208757	0.971961
O	O	1.0	0.840312	0.208541	0.521706
O	O	1.0	0.798686	0.346848	0.971888
O	O	1.0	0.825833	0.846781	0.472039
O	O	1.0	0.867433	0.708617	0.021347
O	O	1.0	0.867471	0.708727	0.471671
O	O	1.0	0.825812	0.846618	0.021983
O	O	1.0	0.715311	0.346783	0.522033
O	O	1.0	0.757013	0.208675	0.971750
O	O	1.0	0.757046	0.208503	0.521317
O	O	1.0	0.715316	0.346611	0.972083
O	O	1.0	0.742460	0.846600	0.472016
O	O	1.0	0.784119	0.708473	0.021677
O	O	1.0	0.784126	0.708710	0.472097
O	O	1.0	0.742477	0.846756	0.022042
O	O	1.0	0.673425	0.208993	0.971965
O	O	1.0	0.673511	0.209130	0.522130
O	O	1.0	0.660550	0.847507	0.468950
O	O	1.0	0.700819	0.708506	0.021439
O	O	1.0	0.700876	0.708664	0.471594
O	O	1.0	0.124857	-0.030496	0.429461
O	O	1.0	0.660089	0.844060	0.020886
O	O	1.0	0.083383	0.660207	0.149081
O	O	1.0	0.085109	0.937840	0.152117
O	O	1.0	0.125365	0.761538	0.917128
O	O	1.0	0.507256	0.681719	0.521976
O	O	1.0	0.547922	0.545518	0.973272
O	O	1.0	0.083214	0.798426	0.543053
O	O	1.0	0.547928	0.540793	0.524125
O	O	1.0	0.507275	0.681702	0.971863
O	O	1.0	0.534837	0.181389	0.472165
O	O	1.0	0.124026	0.250898	0.399177
O	O	1.0	0.534830	0.181701	0.021783
O	O	1.0	0.424027	0.681768	0.521998
O	O	1.0	0.126287	0.099840	0.039403
O	O	1.0	0.465698	0.543651	0.971632
O	O	1.0	0.465710	0.543378	0.521601
O	O	1.0	0.125577	0.483774	0.917441
O	O	1.0	0.424016	0.681710	0.972107
O	O	1.0	0.451104	0.181672	0.472070
O	O	1.0	0.492867	0.043491	0.021462
O	O	1.0	0.082860	0.140653	0.635061
O	O	1.0	0.492849	0.043774	0.471756
O	O	1.0	0.451098	0.181883	0.021953
O	O	1.0	0.340676	0.681715	0.521869
O	O	1.0	0.085835	0.265887	0.039707
O	O	1.0	0.382341	0.543713	0.972435
O	O	1.0	0.382339	0.543350	0.521812
O	O	1.0	0.085145	0.415608	0.657226
O	O	1.0	0.340706	0.681650	0.971975
O	O	1.0	0.125674	0.622824	0.523286
O	O	1.0	0.367808	0.181788	0.472123
O	O	1.0	0.409355	0.043483	0.021466
O	O	1.0	0.409391	0.043738	0.471710
O	O	1.0	0.367806	0.181529	0.022019
