LMucko/crystallography-open-database huggingface dataset:
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 685 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9014463
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: T = 685 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.88 O4 Si0.95'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1279
_cell_length_b                   8.1279
_cell_length_c                   8.1279
_cell_formula_units_Z            8
_cell_volume                     536.951
_database_code_amcsd             0018835
_exptl_crystal_density_diffrn    3.374
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.88 Si.95 O4'
_cod_database_code               9014463
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the split atom model
Bosi, F.; Skogby, H.; Agrosì G; Scandale, E.; American Mineralogist 97 (2012) 989–994; doi:10.2138/am.2012.4019

data_9014464
_publ_section_title
;
 Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
 supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
 Note: this dataset represents the split atom model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              989
_journal_page_last               994
_journal_paper_doi               10.2138/am.2012.4019
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy'
_chemical_formula_sum            'Al6 B3 H3 Li1.152 Mn1.848 Na0.754 O31 Si6'
_chemical_name_mineral           Tsilaisite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.9461
_cell_length_b                   15.9461
_cell_length_c                   7.1380
_cell_formula_units_Z            3
_cell_volume                     1571.868
_database_code_amcsd             0018866
_exptl_crystal_density_diffrn    3.133
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.754 (Mn1.848 Li1.152) Al6 B3 Si6 O31 H3'
_cod_database_code               9014464
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 1533 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9014465
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 1533 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.457 Fe0.541 Mg O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1712
_cell_length_b                   8.1712
_cell_length_c                   8.1712
_cell_formula_units_Z            8
_cell_volume                     545.579
_database_code_amcsd             0019332
_exptl_crystal_density_diffrn    3.843
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.457 Mg Fe.541 O4'
_cod_database_code               9014465
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 1.50 GPa
Zhao, J.; Ross, N. L.; Angel, R. J.; Physics and Chemistry of Minerals 31 (2004) 299–305; doi:10.1007/s00269-004-0391-1

data_9014466
_publ_section_title
;
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 1.50 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              299
_journal_page_last               305
_journal_paper_doi               10.1007/s00269-004-0391-1
_journal_volume                  31
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O3 Sn'
_chemical_name_mineral           Megawite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4952
_cell_length_b                   5.6486
_cell_length_c                   7.8561
_cell_formula_units_Z            4
_cell_volume                     243.855
_database_code_amcsd             0018607
_exptl_crystal_density_diffrn    5.632
_cod_original_formula_sum        'Ca Sn O3'
_cod_database_code               9014466
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Buergerite 43293
Grice, J. D.; Ercit, T. S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245–266; doi:

data_9014467
_publ_section_title
;
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Buergerite 43293
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              245
_journal_page_last               266
_journal_volume                  165
_journal_year                    1993
_chemical_compound_source        'Mapimi, Durango, Mexico'
_chemical_formula_sum
'Al6.41 B3.1 Ca0.04 F0.74 Fe2.53 H1.35 Mg0.06 Na0.88 O30.26 Si5.83 Ti0.07'
_chemical_name_mineral           Fluor-buergerite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.874
_cell_length_b                   15.874
_cell_length_c                   7.196
_cell_volume                     1570.343
_database_code_amcsd             0018787
_exptl_crystal_density_diffrn    3.292
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.88 Ca.04 Fe2.53 Al6.41 Mg.06 Si5.83 B3.1 Ti.07 F.74 O30.26 H1.35'
_cod_database_code               9014467
_cell_formula_units_Z 3
A new tungsten trioxide hydrate, W O3 (H2 O)0.33: Preparation, characterization and crystallographic study _cod_database_code 1004050
Gerand, B.; Nowogrocki, G.; Figlarz, M.; Journal of Solid State Chemistry 38 (1981) 312–320; doi:10.1016/0022-4596(81)90062-1

data_9014468
_publ_section_title
;
 A new tungsten trioxide hydrate, W O3 (H2 O)0.33: Preparation,
 characterization and crystallographic study
 _cod_database_code 1004050
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              312
_journal_page_last               320
_journal_paper_doi               10.1016/0022-4596(81)90062-1
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'O10 W3'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F 2 -2'
_symmetry_space_group_name_H-M   'F m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.359
_cell_length_b                   12.513
_cell_length_c                   7.704
_cell_formula_units_Z            4
_cell_volume                     709.409
_database_code_amcsd             0013416
_exptl_crystal_density_diffrn    6.662
_cod_duplicate_entry             1004050
_cod_original_formula_sum        'W3 O10'
_cod_database_code               9014468
_amcsd_formula_title             'H0.66 O3.33 W'
Two new families of lanthanide mixed-ligand complexes, oxalate-carbonate and oxalate-formate: synthesis and and structure of (Ce(H2O))2(C2O4)2(CO3)*2.5H2O _cod_database_code 1008972
Romero, S.; Mosset, A.; Trombe, J.; Journal of Solid State Chemistry 127 (1996) 256–266; doi:10.1006/jssc.1996.0382

data_9014469
_publ_section_title
;
 Two new families of lanthanide mixed-ligand complexes, oxalate-carbonate and
 oxalate-formate: synthesis and and structure of (Ce(H2O))2(C2O4)2(CO3)*2.5H2O
 _cod_database_code 1008972
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              256
_journal_page_last               266
_journal_paper_doi               10.1006/jssc.1996.0382
_journal_volume                  127
_journal_year                    1996
_chemical_formula_sum            'C5 Ce2 O15.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.59
_cell_angle_beta                 90.47
_cell_angle_gamma                105.13
_cell_length_a                   6.329
_cell_length_b                   8.743
_cell_length_c                   13.004
_cell_formula_units_Z            2
_cell_volume                     666.691
_database_code_amcsd             0016835
_exptl_crystal_density_diffrn    2.930
_cod_duplicate_entry             1008972
_cod_original_formula_sum        'Ce2 O15.5 C5'
_cod_database_code               9014469
_amcsd_formula_title             (Ce(H2O))2(C2O4)2(CO3)*2.5H2O
Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X _cod_database_code 1001093
Morgenstern Badarau, I.; Michel, M.; Annales de Chimie 1971 (1971) 109–124; doi:

data_9014470
_publ_section_title
;
 Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X
 _cod_database_code 1001093
;
_journal_name_full               'Annales de Chimie'
_journal_page_first              109
_journal_page_last               124
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'O3 Pb Sn'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.7186
_cell_length_b                   10.7186
_cell_length_c                   10.7186
_cell_formula_units_Z            16
_cell_volume                     1231.443
_database_code_amcsd             0012011
_exptl_crystal_density_diffrn    8.067
_cod_duplicate_entry             1001093
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Pb Sn O3'
_cod_database_code               9014470
_amcsd_formula_title             Pb2Sn2O6
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 193 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9014471
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: T = 193 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.94 O4 Si'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0756
_cell_length_b                   8.0756
_cell_length_c                   8.0756
_cell_formula_units_Z            8
_cell_volume                     526.653
_database_code_amcsd             0018825
_exptl_crystal_density_diffrn    3.512
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.94 Si O4'
_cod_database_code               9014471
Position of cations and water molecules in hydrated chabazite. Natural and Na-, Ca-, Sr- and K-exchanged chabazites Note: Ca-exchanged
Alberti, A.; Galli, E.; Vezzalini, G.; Passaglia, E.; Zanazzi, P. F.; Zeolites 2 (1982) 303–309; doi:10.1016/S0144-2449(82)80075-4

data_9014472
_publ_section_title
;
 Position of cations and water molecules in hydrated chabazite.
 Natural and Na-, Ca-, Sr- and K-exchanged chabazites
 Note: Ca-exchanged
;
_journal_name_full               Zeolites
_journal_page_first              303
_journal_page_last               309
_journal_paper_doi               10.1016/S0144-2449(82)80075-4
_journal_volume                  2
_journal_year                    1982
_chemical_compound_source        'Keller, Nidda, Germany'
_chemical_formula_sum            'Al3.6 Ca1.76 H19.74 O33.87 Si8.4'
_chemical_name_mineral           Chabazite-Ca
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.39
_cell_angle_beta                 94.39
_cell_angle_gamma                94.39
_cell_formula_units_Z            1
_cell_length_a                   9.401
_cell_length_b                   9.401
_cell_length_c                   9.401
_cell_volume                     823.139
_database_code_amcsd             0017689
_exptl_crystal_density_diffrn    1.947
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ca1.76 (Al3.6 Si8.4) O33.87 H19.74'
_cod_database_code               9014472
Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral
Rumsey, M. S.; Krivovichev, S. V.; Siidra, O. I.; Kirk, C. A.; Stanley, C. J.; Spratt, J.; Mineralogical Magazine 76 (2012) 59–73; doi:10.1180/minmag.2012.076.1.59

data_9014473
_publ_section_title
;
 Rickturnerite, Pb7O4[Mg(OH)4](OH)Cl3, a complex new lead oxychloride mineral
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              59
_journal_page_last               73
_journal_paper_doi               10.1180/minmag.2012.076.1.59
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'Torr Works (Merehead) quarry, Cranmore, Somerset, United Kingdom'
_chemical_formula_sum            'Cl6 H10.02 Mg2 O18.02 Pb14'
_chemical_name_mineral           Rickturnerite
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.8034
_cell_length_b                   11.3574
_cell_length_c                   12.9393
_cell_volume                     852.849
_database_code_amcsd             0018663
_exptl_crystal_density_diffrn    6.738
_cod_original_formula_sum        'Pb14 Cl6 Mg2 O18.02 H10.02'
_cod_database_code               9014473
Strukturuntersuchungen an Karbiden des Eisens, Wolframs und Chroms mit thermischen Neutronen
Meinhardt, D.; Krisement, O.; Archiv fur das Eisenhuettenwesen 33 (1962) 493–499; doi:

data_9014474
_publ_section_title
;
 Strukturuntersuchungen an Karbiden des Eisens,
 Wolframs und Chroms mit thermischen Neutronen
;
_journal_name_full               'Archiv fur das Eisenhuettenwesen'
_journal_page_first              493
_journal_page_last               499
_journal_volume                  33
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.514
_cell_length_b                   5.078
_cell_length_c                   6.729
_cell_formula_units_Z            4
_cell_volume                     154.243
_database_code_amcsd             0019094
_exptl_crystal_density_diffrn    7.732
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9014474
Refinement of the crystal structure of synthetic chervetite, Pb2V2O7
Shannon, R. D.; Calvo, C.; Canadian Journal of Chemistry 51 (1973) 70–76; doi:10.1139/v73-010

data_9014475
_publ_section_title
;
 Refinement of the crystal structure of synthetic chervetite, Pb2V2O7
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              70
_journal_page_last               76
_journal_paper_doi               10.1139/v73-010
_journal_volume                  51
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O7 Pb2 V2'
_chemical_name_mineral           Chervetite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.935
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3689
_cell_length_b                   7.1607
_cell_length_c                   7.1027
_cell_volume                     653.819
_database_code_amcsd             0019227
_exptl_crystal_density_diffrn    6.383
_cod_original_formula_sum        'Pb2 V2 O7'
_cod_database_code               9014475
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9014476
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 6.81 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.595
_cell_length_b                   3.595
_cell_length_c                   3.595
_cell_formula_units_Z            4
_cell_volume                     46.462
_database_code_amcsd             0019406
_exptl_crystal_density_diffrn    7.984
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014476
Hydrogen-bond system and dehydration behavior of the natural zeolite partheite Note: room temperature
Lazic, B.; Armbruster, T.; Liebich, B. W.; Perfler, L.; American Mineralogist 97 (2012) 1866–1873; doi:10.2138/am.2012.4197

data_9014477
_publ_section_title
;
 Hydrogen-bond system and dehydration behavior of the natural zeolite partheite
 Note: room temperature
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1866
_journal_page_last               1873
_journal_paper_doi               10.2138/am.2012.4197
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Denezhkin Kamen, Urals Region, Russia'
_chemical_formula_sum            'Al4 Ca2 H10 O21 Si4'
_chemical_name_mineral           Partheite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.5524
_cell_angle_gamma                90
_cell_length_a                   21.5474
_cell_length_b                   8.75638
_cell_length_c                   9.30578
_cell_formula_units_Z            4
_cell_volume                     1755.144
_database_code_amcsd             0019713
_exptl_crystal_density_diffrn    2.447
_cod_original_formula_sum        'Ca2 Al4 Si4 O21 H10'
_cod_database_code               9014477
Lithium triniobate(V), LiNb3O8 Note: isostructural with lithiotantite
Gatehouse, B. M.; Leverett, P.; Crystal Structure Communications 1 (1972) 83–86; doi:

data_9014478
_publ_section_title
;
 Lithium triniobate(V), LiNb3O8
 Note: isostructural with lithiotantite
;
_journal_name_full               'Crystal Structure Communications'
_journal_page_first              83
_journal_page_last               86
_journal_volume                  1
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li Nb3 O8'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.459
_cell_length_b                   5.034
_cell_length_c                   15.270
_cell_volume                     547.339
_database_code_amcsd             0017479
_exptl_crystal_density_diffrn    5.020
_cod_database_code               9014478
_amcsd_formula_title             LiNb3O8
On the crystal structure of chlorine _cod_database_code 1010471
Keeson, W.; Taconis, K.; Physica 3 (1937) 237–242; doi:

data_9014479
_publ_section_title
;
 On the crystal structure of chlorine
 _cod_database_code 1010471
;
_journal_name_full               Physica
_journal_page_first              237
_journal_page_last               242
_journal_volume                  3
_journal_year                    1937
_chemical_formula_sum            'Cl2'
_space_group_IT_number           138
_symmetry_space_group_name_Hall  'P 4n 2ab -1n'
_symmetry_space_group_name_H-M   'P 42/n c m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.56
_cell_length_b                   8.56
_cell_length_c                   6.12
_cell_formula_units_Z            8
_cell_volume                     448.434
_database_code_amcsd             0017388
_exptl_crystal_density_diffrn    2.100
_cod_depositor_comments
;

2024-05-20
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            Cl
_cod_original_sg_symbol_H-M      'P 42/n c m'
_cod_database_code               9014479
_amcsd_formula_title             Cl2
_cod_duplicate_entry 1010328