LMucko/crystallography-open-database huggingface dataset:
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 4.56 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_9006843
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 4.56 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                   5.269
_cell_length_b                   8.838
_cell_length_c                   5.999
_cell_formula_units_Z            4
_cell_volume                     279.358
_database_code_amcsd             0008425
_diffrn_ambient_pressure         4.56e+06
_exptl_crystal_density_diffrn    4.692
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006843
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 5.50 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_9006844
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 5.50 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                   5.260
_cell_length_b                   8.846
_cell_length_c                   5.895
_cell_formula_units_Z            4
_cell_volume                     274.294
_database_code_amcsd             0008426
_diffrn_ambient_pressure         5.5e+06
_exptl_crystal_density_diffrn    4.779
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006844
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 6.20 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_9006845
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 6.20 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                   5.255
_cell_length_b                   8.852
_cell_length_c                   5.838
_cell_formula_units_Z            4
_cell_volume                     271.568
_database_code_amcsd             0008427
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    4.827
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006845
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.05 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_9006846
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 7.05 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                   5.251
_cell_length_b                   8.868
_cell_length_c                   5.762
_cell_formula_units_Z            4
_cell_volume                     268.313
_database_code_amcsd             0008428
_diffrn_ambient_pressure         7.05e+06
_exptl_crystal_density_diffrn    4.885
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006846
Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.2 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_9006847
_publ_section_title
;
 Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
 Sample: P = 7.2 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           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.258
_cell_length_b                   5.258
_cell_length_c                   5.64
_cell_formula_units_Z            4
_cell_volume                     135.036
_database_code_amcsd             0008429
_diffrn_ambient_pressure         7.2e+06
_exptl_crystal_density_diffrn    4.853
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9006847
Structure and cation disorder of hydrous ringwoodite, gamma-Mg1.89Si0.98H0.30O4
Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtami, E.; Physics and Chemistry of Minerals 27 (2000) 474–479; doi:10.1007/s002690000091

data_9006848
_publ_section_title
;
 Structure and cation disorder of hydrous ringwoodite,
 gamma-Mg1.89Si0.98H0.30O4
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              474
_journal_page_last               479
_journal_paper_doi               10.1007/s002690000091
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'H0.3 Mg1.89 O4 Si0.98'
_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_formula_units_Z            8
_cell_length_a                   8.0693
_cell_length_b                   8.0693
_cell_length_c                   8.0693
_cell_volume                     525.421
_database_code_amcsd             0008430
_exptl_crystal_density_diffrn    3.483
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.89 Si.98 O4 H.3'
_cod_database_code               9006848
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 0 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006849
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3966
_cell_length_b                   4.3966
_cell_length_c                   2.8626
_cell_formula_units_Z            2
_cell_volume                     55.334
_database_code_amcsd             0008431
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    6.278
_cod_database_code               9006849
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 4.2 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006850
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 4.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3751
_cell_length_b                   4.3751
_cell_length_c                   2.8511
_cell_formula_units_Z            2
_cell_volume                     54.574
_database_code_amcsd             0008432
_diffrn_ambient_pressure         4.2e+06
_exptl_crystal_density_diffrn    6.366
_cod_database_code               9006850
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 6.2 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006851
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 6.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3553
_cell_length_b                   4.3553
_cell_length_c                   2.8463
_cell_formula_units_Z            2
_cell_volume                     53.990
_database_code_amcsd             0008433
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    6.435
_cod_database_code               9006851
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 8.9 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006852
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 8.9 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3417
_cell_length_b                   4.3417
_cell_length_c                   2.8407
_cell_formula_units_Z            2
_cell_volume                     53.548
_database_code_amcsd             0008434
_diffrn_ambient_pressure         8.9e+06
_exptl_crystal_density_diffrn    6.488
_cod_database_code               9006852
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 10.4 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006853
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 10.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3340
_cell_length_b                   4.3340
_cell_length_c                   2.8376
_cell_formula_units_Z            2
_cell_volume                     53.300
_database_code_amcsd             0008435
_diffrn_ambient_pressure         1.04e+07
_exptl_crystal_density_diffrn    6.518
_cod_database_code               9006853
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 10.5 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006854
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 10.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.3349
_cell_length_b                   4.3349
_cell_length_c                   2.8424
_cell_formula_units_Z            2
_cell_volume                     53.413
_database_code_amcsd             0008436
_diffrn_ambient_pressure         1.05e+07
_exptl_crystal_density_diffrn    6.504
_cod_database_code               9006854
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 16.1 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006855
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 16.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2980
_cell_length_b                   4.2980
_cell_length_c                   2.8295
_cell_formula_units_Z            2
_cell_volume                     52.269
_database_code_amcsd             0008437
_diffrn_ambient_pressure         1.61e+07
_exptl_crystal_density_diffrn    6.647
_cod_database_code               9006855
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 20.3 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006856
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 20.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2835
_cell_length_b                   4.2835
_cell_length_c                   2.8193
_cell_formula_units_Z            2
_cell_volume                     51.730
_database_code_amcsd             0008438
_diffrn_ambient_pressure         2.03e+07
_exptl_crystal_density_diffrn    6.716
_cod_database_code               9006856
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 25 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006857
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: rutile-type, P = 25 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2630
_cell_length_b                   4.2630
_cell_length_c                   2.8148
_cell_formula_units_Z            2
_cell_volume                     51.154
_database_code_amcsd             0008439
_diffrn_ambient_pressure         2.5e+07
_exptl_crystal_density_diffrn    6.792
_cod_database_code               9006857
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 28 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006858
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: CaCl2-type, post-argutite, P = 28 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     GeO2
_chemical_formula_sum            'Ge O2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2841
_cell_length_b                   4.2098
_cell_length_c                   2.8089
_cell_formula_units_Z            2
_cell_volume                     50.659
_database_code_amcsd             0008440
_diffrn_ambient_pressure         2.8e+07
_exptl_crystal_density_diffrn    6.858
_cod_database_code               9006858
_amcsd_formula_title             GeO2
Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 29 GPa
Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.; Physics and Chemistry of Minerals 27 (2000) 575–582; doi:10.1007/s002690000092

data_9006859
_publ_section_title
;
 Structural evolution of rutile-type and CaCl2-type germanium dioxide
 at high pressure
 Sample: CaCl2-type, post-argutite, P = 29 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              575
_journal_page_last               582
_journal_paper_doi               10.1007/s002690000092
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     GeO2
_chemical_formula_sum            'Ge O2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.2852
_cell_length_b                   4.1959
_cell_length_c                   2.8062
_cell_formula_units_Z            2
_cell_volume                     50.456
_database_code_amcsd             0008441
_diffrn_ambient_pressure         2.9e+07
_exptl_crystal_density_diffrn    6.885
_cod_database_code               9006859
_amcsd_formula_title             GeO2