LMucko/crystallography-open-database huggingface dataset:
Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 210 C
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 27 (2000) 377–385; doi:10.1007/s002690000085

data_9006826
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample 2: T = 210 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              377
_journal_page_last               385
_journal_paper_doi               10.1007/s002690000085
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum
'Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005'
_chemical_name_mineral           Paragonite
_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                 94.26
_cell_angle_gamma                90
_cell_length_a                   5.152
_cell_length_b                   8.941
_cell_length_c                   19.459
_cell_formula_units_Z            4
_cell_volume                     893.884
_database_code_amcsd             0008408
_diffrn_ambient_temperature      483.15
_exptl_crystal_density_diffrn    2.865
_cod_original_formula_sum
'(Na.91 K.07 Ca.01 Ba.01) Al3.07 Ti.005 Fe.01 Mn.001 Mg.02 Si2.92 O12 H2'
_cod_database_code               9006826
Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 450 C
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 27 (2000) 377–385; doi:10.1007/s002690000085

data_9006827
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample 2: T = 450 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              377
_journal_page_last               385
_journal_paper_doi               10.1007/s002690000085
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum
'Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005'
_chemical_name_mineral           Paragonite
_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                 93.58
_cell_angle_gamma                90
_cell_length_a                   5.173
_cell_length_b                   8.985
_cell_length_c                   19.553
_cell_formula_units_Z            4
_cell_volume                     907.038
_database_code_amcsd             0008409
_diffrn_ambient_temperature      723.15
_exptl_crystal_density_diffrn    2.824
_cod_original_formula_sum
'(Na.91 K.07 Ca.01 Ba.01) Al3.07 Ti.005 Fe.01 Mn.001 Mg.02 Si2.92 O12 H2'
_cod_database_code               9006827
Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 600 C
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 27 (2000) 377–385; doi:10.1007/s002690000085

data_9006828
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample 2: T = 600 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              377
_journal_page_last               385
_journal_paper_doi               10.1007/s002690000085
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum
'Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005'
_chemical_name_mineral           Paragonite
_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                 92.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.190
_cell_length_b                   9.011
_cell_length_c                   19.603
_cell_volume                     915.552
_database_code_amcsd             0008410
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    2.798
_cod_original_formula_sum
'(Na.91 K.07 Ca.01 Ba.01) Al3.07 Ti.005 Fe.01 Mn.001 Mg.02 Si2.92 O12 H2'
_cod_database_code               9006828
Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample: Dehydroxylate phase at T = 25 C
Comodi, P.; Zanazzi, P. F.; Physics and Chemistry of Minerals 27 (2000) 377–385; doi:10.1007/s002690000085

data_9006829
_publ_section_title
;
 Structural thermal behavior of paragonite and its dehydroxylate:
 a high-temperature single-crystal study
 Sample: Dehydroxylate phase at T = 25 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              377
_journal_page_last               385
_journal_paper_doi               10.1007/s002690000085
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     NaAl2(AlSi3)O11
_chemical_formula_sum            'Al3 Na O11 Si3'
_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                 92.70
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.182
_cell_length_b                   9.117
_cell_length_c                   19.550
_cell_volume                     922.601
_database_code_amcsd             0008411
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.622
_cod_original_formula_sum        'Na Al3 Si3 O11'
_cod_database_code               9006829
_amcsd_formula_title             NaAl2(AlSi3)O11
Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 between 80 K and 300 K Sample: T = 298 K
Redhammer, G. J.; Tippelt, G.; Roth, G.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 27 (2000) 419–429; doi:10.1007/s002699900078

data_9006830
_publ_section_title
;
 Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2
 between 80 K and 300 K
 Sample: T = 298 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              419
_journal_page_last               429
_journal_paper_doi               10.1007/s002699900078
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Fe3 H2 O10 P2'
_chemical_name_mineral           Barbosalite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.43
_cell_angle_gamma                90
_cell_length_a                   7.3294
_cell_length_b                   7.4921
_cell_length_c                   7.4148
_cell_formula_units_Z            2
_cell_volume                     358.061
_database_code_amcsd             0008412
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.631
_cod_original_formula_sum        'P2 Fe3 O10 H2'
_cod_database_code               9006830
Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 between 80 K and 300 K Sample: T = 110 K
Redhammer, G. J.; Tippelt, G.; Roth, G.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 27 (2000) 419–429; doi:10.1007/s002699900078

data_9006831
_publ_section_title
;
 Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2
 between 80 K and 300 K
 Sample: T = 110 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              419
_journal_page_last               429
_journal_paper_doi               10.1007/s002699900078
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Fe3 H2 O10 P2'
_chemical_name_mineral           Barbosalite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.49
_cell_angle_gamma                90
_cell_length_a                   7.3065
_cell_length_b                   7.5026
_cell_length_c                   7.4105
_cell_formula_units_Z            2
_cell_volume                     357.033
_database_code_amcsd             0008413
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    3.642
_cod_original_formula_sum        'P2 Fe3 O10 H2'
_cod_database_code               9006831
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 0.5 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006832
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 0.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5682
_cell_length_b                   3.5682
_cell_length_c                   4.8625
_cell_volume                     53.615
_database_code_amcsd             0008414
_diffrn_ambient_pressure         5e+05
_exptl_crystal_density_diffrn    2.295
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006832
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 2.4 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006833
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 2.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5338
_cell_length_b                   3.5338
_cell_length_c                   4.7120
_cell_volume                     50.959
_database_code_amcsd             0008415
_diffrn_ambient_pressure         2.4e+06
_exptl_crystal_density_diffrn    2.414
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006833
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 4.3 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006834
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 4.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.5104
_cell_length_b                   3.5104
_cell_length_c                   4.6294
_cell_volume                     49.405
_database_code_amcsd             0008416
_diffrn_ambient_pressure         4.3e+06
_exptl_crystal_density_diffrn    2.490
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006834
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 6.3 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006835
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 6.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.4806
_cell_length_b                   3.4806
_cell_length_c                   4.5352
_cell_volume                     47.581
_database_code_amcsd             0008417
_diffrn_ambient_pressure         6.3e+06
_exptl_crystal_density_diffrn    2.586
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006835
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 8.1 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006836
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 8.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.4575
_cell_length_b                   3.4575
_cell_length_c                   4.451
_cell_volume                     46.080
_database_code_amcsd             0008418
_diffrn_ambient_pressure         8.1e+06
_exptl_crystal_density_diffrn    2.670
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006836
Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 9.7 GPa
Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.; Physics and Chemistry of Minerals 27 (2000) 462–466; doi:10.1007/s002690000084

data_9006837
_publ_section_title
;
 Compression mechanism and amorphization of portlandite,
 Ca(OH)2: structural refinement under pressure
 Sample: P = 9.7 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              462
_journal_page_last               466
_journal_paper_doi               10.1007/s002690000084
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ca H2 O2'
_chemical_name_mineral           Portlandite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.442
_cell_length_b                   3.442
_cell_length_c                   4.4053
_cell_volume                     45.199
_database_code_amcsd             0008419
_diffrn_ambient_pressure         9.7e+06
_exptl_crystal_density_diffrn    2.722
_cod_original_formula_sum        'Ca (O2 H2)'
_cod_database_code               9006837
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 0.00 GPa
Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.; Physics and Chemistry of Minerals 27 (2000) 467–473; doi:10.1007/s002690000087

data_9006838
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 0.00 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               473
_journal_paper_doi               10.1007/s002690000087
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.316
_cell_length_b                   8.892
_cell_length_c                   6.428
_cell_formula_units_Z            4
_cell_volume                     303.851
_database_code_amcsd             0008420
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.314
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006838
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.26 GPa
Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.; Physics and Chemistry of Minerals 27 (2000) 467–473; doi:10.1007/s002690000087

data_9006839
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 1.26 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               473
_journal_paper_doi               10.1007/s002690000087
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.300
_cell_length_b                   8.868
_cell_length_c                   6.318
_cell_formula_units_Z            4
_cell_volume                     296.949
_database_code_amcsd             0008421
_diffrn_ambient_pressure         1.26e+06
_exptl_crystal_density_diffrn    4.414
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006839
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.98 GPa
Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.; Physics and Chemistry of Minerals 27 (2000) 467–473; doi:10.1007/s002690000087

data_9006840
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 1.98 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               473
_journal_paper_doi               10.1007/s002690000087
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.292
_cell_length_b                   8.856
_cell_length_c                   6.246
_cell_formula_units_Z            4
_cell_volume                     292.725
_database_code_amcsd             0008422
_diffrn_ambient_pressure         1.98e+06
_exptl_crystal_density_diffrn    4.478
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006840
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 2.95 GPa
Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.; Physics and Chemistry of Minerals 27 (2000) 467–473; doi:10.1007/s002690000087

data_9006841
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 2.95 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               473
_journal_paper_doi               10.1007/s002690000087
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.282
_cell_length_b                   8.843
_cell_length_c                   6.148
_cell_formula_units_Z            4
_cell_volume                     287.165
_database_code_amcsd             0008423
_diffrn_ambient_pressure         2.95e+06
_exptl_crystal_density_diffrn    4.564
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006841
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 3.94 GPa
Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.; Physics and Chemistry of Minerals 27 (2000) 467–473; doi:10.1007/s002690000087

data_9006842
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 3.94 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               473
_journal_paper_doi               10.1007/s002690000087
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.274
_cell_length_b                   8.838
_cell_length_c                   6.060
_cell_formula_units_Z            4
_cell_volume                     282.466
_database_code_amcsd             0008424
_diffrn_ambient_pressure         3.94e+06
_exptl_crystal_density_diffrn    4.640
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006842