LMucko/crystallography-open-database huggingface dataset:
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #155, P = 11.8 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005940
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #155, P = 11.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   5.009
_cell_length_b                   5.009
_cell_length_c                   5.009
_cell_formula_units_Z            4
_cell_volume                     125.676
_database_code_amcsd             0007522
_diffrn_ambient_pressure         1.18e+07
_exptl_crystal_density_diffrn    4.598
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005940
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #156, P = 12.3 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005941
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #156, P = 12.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   5.008
_cell_length_b                   5.008
_cell_length_c                   5.008
_cell_formula_units_Z            4
_cell_volume                     125.601
_database_code_amcsd             0007523
_diffrn_ambient_pressure         1.23e+07
_exptl_crystal_density_diffrn    4.601
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005941
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #157, P = 13.8 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005942
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #157, P = 13.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   4.977
_cell_length_b                   4.977
_cell_length_c                   4.977
_cell_formula_units_Z            4
_cell_volume                     123.283
_database_code_amcsd             0007524
_diffrn_ambient_pressure         1.38e+07
_exptl_crystal_density_diffrn    4.688
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005942
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #158, P = 17.1 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005943
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #158, P = 17.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   4.951
_cell_length_b                   4.951
_cell_length_c                   4.951
_cell_formula_units_Z            4
_cell_volume                     121.361
_database_code_amcsd             0007525
_diffrn_ambient_pressure         1.71e+07
_exptl_crystal_density_diffrn    4.762
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005943
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #159, P = 20.1 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005944
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #159, P = 20.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   4.904
_cell_length_b                   4.904
_cell_length_c                   4.904
_cell_formula_units_Z            4
_cell_volume                     117.937
_database_code_amcsd             0007526
_diffrn_ambient_pressure         2.01e+07
_exptl_crystal_density_diffrn    4.900
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005944
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #160, P = 21.1 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005945
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #160, P = 21.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_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                   4.895
_cell_length_b                   4.895
_cell_length_c                   4.895
_cell_formula_units_Z            4
_cell_volume                     117.289
_database_code_amcsd             0007527
_diffrn_ambient_pressure         2.11e+07
_exptl_crystal_density_diffrn    4.927
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005945
Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 1
Pacalo, R. E. G.; Graham, E. K.; Physics and Chemistry of Minerals 18 (1991) 69–80; doi:

data_9005946
_publ_section_title
;
 Pressure and temperature dependence of the elastic
 properties of synthetic MnO
 Sample: 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              69
_journal_page_last               80
_journal_volume                  18
_journal_year                    1991
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_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                   4.4449
_cell_formula_units_Z            4
_cell_length_b                   4.4449
_cell_length_c                   4.4449
_cell_volume                     87.818
_database_code_amcsd             0007528
_exptl_crystal_density_diffrn    5.365
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005946
Pressure and temperature dependence of the elastic properties of synthetic MnO Sample: 2
Pacalo, R. E. G.; Graham, E. K.; Physics and Chemistry of Minerals 18 (1991) 69–80; doi:

data_9005947
_publ_section_title
;
 Pressure and temperature dependence of the elastic
 properties of synthetic MnO
 Sample: 2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              69
_journal_page_last               80
_journal_volume                  18
_journal_year                    1991
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_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                   4.4446
_cell_formula_units_Z            4
_cell_length_b                   4.4446
_cell_length_c                   4.4446
_cell_volume                     87.801
_database_code_amcsd             0007529
_exptl_crystal_density_diffrn    5.366
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005947
Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 15 K
Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 18 (1991) 199–213; doi:

data_9005948
_publ_section_title
;
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 15 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              199
_journal_page_last               213
_journal_volume                  18
_journal_year                    1991
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Neptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.63
_cell_angle_gamma                90
_cell_length_a                   16.436
_cell_length_b                   12.436
_cell_length_c                   9.966
_cell_formula_units_Z            4
_cell_volume                     1836.600
_database_code_amcsd             0007530
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    3.284
_cod_original_formula_sum        'Na2 K Li Ti2 Fe2 Si8 O24'
_cod_database_code               9005948
Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 110 K
Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 18 (1991) 199–213; doi:

data_9005949
_publ_section_title
;
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 110 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              199
_journal_page_last               213
_journal_volume                  18
_journal_year                    1991
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Neptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.60
_cell_angle_gamma                90
_cell_length_a                   16.430
_cell_length_b                   12.436
_cell_length_c                   9.963
_cell_formula_units_Z            4
_cell_volume                     1835.838
_database_code_amcsd             0007531
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    3.286
_cod_original_formula_sum        'Na2 K Li Ti2 Fe2 Si8 O24'
_cod_database_code               9005949
Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 293 K
Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 18 (1991) 199–213; doi:

data_9005950
_publ_section_title
;
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 293 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              199
_journal_page_last               213
_journal_volume                  18
_journal_year                    1991
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Neptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.56
_cell_angle_gamma                90
_cell_length_a                   16.427
_cell_length_b                   12.478
_cell_length_c                   9.975
_cell_formula_units_Z            4
_cell_volume                     1844.536
_database_code_amcsd             0007532
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    3.270
_cod_original_formula_sum        'Na2 K Li Ti2 Fe2 Si8 O24'
_cod_database_code               9005950
Fe, Ti ordering and octahedral distortions in acentric neptunite: temperature dependent X-ray and neutron structure refinements and Mossbauer Spectroscopy Sample: T = 493 K
Kunz, M.; Armbruster, T.; Lager, G. A.; Schultz, A. J.; Goyette, R. J.; Lottermoser, W.; Amthauer, G.; Physics and Chemistry of Minerals 18 (1991) 199–213; doi:

data_9005951
_publ_section_title
;
 Fe, Ti ordering and octahedral distortions in acentric neptunite:
 temperature dependent X-ray and neutron structure refinements
 and Mossbauer Spectroscopy
 Sample: T = 493 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              199
_journal_page_last               213
_journal_volume                  18
_journal_year                    1991
_chemical_compound_source        'San Benito, California, USA'
_chemical_formula_sum            'Fe2 K Li Na2 O24 Si8 Ti2'
_chemical_name_mineral           Neptunite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.51
_cell_angle_gamma                90
_cell_length_a                   16.426
_cell_length_b                   12.532
_cell_length_c                   9.995
_cell_formula_units_Z            4
_cell_volume                     1856.894
_database_code_amcsd             0007533
_diffrn_ambient_temperature      493
_exptl_crystal_density_diffrn    3.248
_cod_original_formula_sum        'Na2 K Li Ti2 Fe2 Si8 O24'
_cod_database_code               9005951
Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for 43d, Bayerisheches Geoinstitut (Mo), Model 1
O'Neill H St C; Dollase, W. A.; Ross, C. R.; Physics and Chemistry of Minerals 18 (1991) 302–319; doi:

data_9005952
_publ_section_title
;Temperature dependence of the cation distribution in nickel aluminate
 (NiAl2O4) spinel: a powder XRD study Sample: quenched from 700 C, held for
 43d, Bayerisheches Geoinstitut (Mo), Model 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              302
_journal_page_last               319
_journal_volume                  18
_journal_year                    1991
_chemical_formula_structural     NiAl2O4
_chemical_formula_sum            'Al2 Ni O4'
_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                   8.0452
_cell_length_b                   8.0452
_cell_length_c                   8.0452
_cell_volume                     520.728
_database_code_amcsd             0007534
_exptl_crystal_density_diffrn    4.507
_exptl_crystal_thermal_history   'quenched from 700 C, held for 43d'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9005952
Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 80h, Bayerisheches Geoinstitut (Mo), Model 1
O'Neill H St C; Dollase, W. A.; Ross, C. R.; Physics and Chemistry of Minerals 18 (1991) 302–319; doi:

data_9005953
_publ_section_title
;Temperature dependence of the cation distribution in nickel aluminate
 (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for
 80h, Bayerisheches Geoinstitut (Mo), Model 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              302
_journal_page_last               319
_journal_volume                  18
_journal_year                    1991
_chemical_formula_structural     NiAl2O4
_chemical_formula_sum            'Al2 Ni O4'
_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                   8.0460
_cell_length_b                   8.0460
_cell_length_c                   8.0460
_cell_volume                     520.883
_database_code_amcsd             0007535
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history   'quenched from 750 C, held for 80h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9005953
Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for 43h, Bayerisheches Geoinstitut (Mo), Model 1
O'Neill H St C; Dollase, W. A.; Ross, C. R.; Physics and Chemistry of Minerals 18 (1991) 302–319; doi:

data_9005954
_publ_section_title
;Temperature dependence of the cation distribution in nickel aluminate
 (NiAl2O4) spinel: a powder XRD study Sample: quenched from 750 C, held for
 43h, Bayerisheches Geoinstitut (Mo), Model 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              302
_journal_page_last               319
_journal_volume                  18
_journal_year                    1991
_chemical_formula_structural     NiAl2O4
_chemical_formula_sum            'Al2 Ni O4'
_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                   8.0460
_cell_length_b                   8.0460
_cell_length_c                   8.0460
_cell_volume                     520.883
_database_code_amcsd             0007536
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history   'quenched from 750 C, held for 43h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9005954
Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for 11d, Bayerisheches Geoinstitut (Mo), Model 1
O'Neill H St C; Dollase, W. A.; Ross, C. R.; Physics and Chemistry of Minerals 18 (1991) 302–319; doi:

data_9005955
_publ_section_title
;Temperature dependence of the cation distribution in nickel aluminate
 (NiAl2O4) spinel: a powder XRD study Sample: quenched from 800 C, held for
 11d, Bayerisheches Geoinstitut (Mo), Model 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              302
_journal_page_last               319
_journal_volume                  18
_journal_year                    1991
_chemical_formula_structural     NiAl2O4
_chemical_formula_sum            'Al2 Ni O4'
_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                   8.0460
_cell_length_b                   8.0460
_cell_length_c                   8.0460
_cell_volume                     520.883
_database_code_amcsd             0007537
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history   'quenched from 800 C, held for 11d'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9005955
Temperature dependence of the cation distribution in nickel aluminate (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for 49h, Bayerisheches Geoinstitut (Mo), Model 1
O'Neill H St C; Dollase, W. A.; Ross, C. R.; Physics and Chemistry of Minerals 18 (1991) 302–319; doi:

data_9005956
_publ_section_title
;Temperature dependence of the cation distribution in nickel aluminate
 (NiAl2O4) spinel: a powder XRD study Sample: quenched from 850 C, held for
 49h, Bayerisheches Geoinstitut (Mo), Model 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              302
_journal_page_last               319
_journal_volume                  18
_journal_year                    1991
_chemical_formula_structural     NiAl2O4
_chemical_formula_sum            'Al2 Ni O4'
_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                   8.0468
_cell_length_b                   8.0468
_cell_length_c                   8.0468
_cell_volume                     521.038
_database_code_amcsd             0007538
_exptl_crystal_density_diffrn    4.504
_exptl_crystal_thermal_history   'quenched from 850 C, held for 49h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9005956