LMucko/crystallography-open-database huggingface dataset:
On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 4.2 GPa
Wittlinger, J.; Werner, S.; Schulz, H.; Physics and Chemistry of Minerals 24 (1997) 597–600; doi:10.1007/s002690050077

data_9006523
_publ_section_title
;
 On the amorphisation of ZnCr2S4 spinel under high pressure:
 x-ray diffraction studies
 Sample: P = 4.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1007/s002690050077
_journal_volume                  24
_journal_year                    1997
_chemical_formula_sum            'Cr2 S4 Zn'
_chemical_name_mineral           Kalininite
_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                   9.8415
_cell_length_b                   9.8415
_cell_length_c                   9.8415
_cell_formula_units_Z            8
_cell_volume                     953.200
_database_code_amcsd             0008105
_diffrn_ambient_pressure         4.2e+06
_exptl_crystal_density_diffrn    4.148
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Cr2 S4'
_cod_database_code               9006523
On the amorphisation of ZnCr2S4 spinel under high pressure: x-ray diffraction studies Sample: P = 7.19 GPa
Wittlinger, J.; Werner, S.; Schulz, H.; Physics and Chemistry of Minerals 24 (1997) 597–600; doi:10.1007/s002690050077

data_9006524
_publ_section_title
;
 On the amorphisation of ZnCr2S4 spinel under high pressure:
 x-ray diffraction studies
 Sample: P = 7.19 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              597
_journal_page_last               600
_journal_paper_doi               10.1007/s002690050077
_journal_volume                  24
_journal_year                    1997
_chemical_formula_sum            'Cr2 S4 Zn'
_chemical_name_mineral           Kalininite
_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                   9.7738
_cell_length_b                   9.7738
_cell_length_c                   9.7738
_cell_formula_units_Z            8
_cell_volume                     933.663
_database_code_amcsd             0008106
_diffrn_ambient_pressure         7.19e+06
_exptl_crystal_density_diffrn    4.235
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Cr2 S4'
_cod_database_code               9006524
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 0.00 GPa
Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.; Physics and Chemistry of Minerals 25 (1997) 39–47; doi:10.1007/s002690050084

data_9006525
_publ_section_title
;Compressibility and crystal structure of sillimanite, Al2SiO5, at high
 pressure Sample: P = 0.00 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1007/s002690050084
_journal_volume                  25
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Sillimanite
_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_formula_units_Z            4
_cell_length_a                   7.4857
_cell_length_b                   7.6750
_cell_length_c                   5.7751
_cell_volume                     331.795
_database_code_amcsd             0008107
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.244
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9006525
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 1.23 GPa
Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.; Physics and Chemistry of Minerals 25 (1997) 39–47; doi:10.1007/s002690050084

data_9006526
_publ_section_title
;Compressibility and crystal structure of sillimanite, Al2SiO5, at high
 pressure Sample: P = 1.23 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1007/s002690050084
_journal_volume                  25
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Sillimanite
_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_formula_units_Z            4
_cell_length_a                   7.4732
_cell_length_b                   7.6520
_cell_length_c                   5.7631
_cell_volume                     329.562
_database_code_amcsd             0008108
_diffrn_ambient_pressure         1.23e+06
_exptl_crystal_density_diffrn    3.266
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9006526
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 2.54 GPa
Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.; Physics and Chemistry of Minerals 25 (1997) 39–47; doi:10.1007/s002690050084

data_9006527
_publ_section_title
;Compressibility and crystal structure of sillimanite, Al2SiO5, at high
 pressure Sample: P = 2.54 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1007/s002690050084
_journal_volume                  25
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Sillimanite
_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_formula_units_Z            4
_cell_length_a                   7.4537
_cell_length_b                   7.6238
_cell_length_c                   5.7560
_cell_volume                     327.088
_database_code_amcsd             0008109
_diffrn_ambient_pressure         2.54e+06
_exptl_crystal_density_diffrn    3.291
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9006527
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 3.72 GPa
Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.; Physics and Chemistry of Minerals 25 (1997) 39–47; doi:10.1007/s002690050084

data_9006528
_publ_section_title
;Compressibility and crystal structure of sillimanite, Al2SiO5, at high
 pressure Sample: P = 3.72 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1007/s002690050084
_journal_volume                  25
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Sillimanite
_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_formula_units_Z            4
_cell_length_a                   7.4345
_cell_length_b                   7.5989
_cell_length_c                   5.7507
_cell_volume                     324.880
_database_code_amcsd             0008110
_diffrn_ambient_pressure         3.72e+06
_exptl_crystal_density_diffrn    3.313
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9006528
Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 5.29 GPa
Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.; Physics and Chemistry of Minerals 25 (1997) 39–47; doi:10.1007/s002690050084

data_9006529
_publ_section_title
;Compressibility and crystal structure of sillimanite, Al2SiO5, at high
 pressure Sample: P = 5.29 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1007/s002690050084
_journal_volume                  25
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Sillimanite
_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_formula_units_Z            4
_cell_length_a                   7.4146
_cell_length_b                   7.5739
_cell_length_c                   5.7450
_cell_volume                     322.624
_database_code_amcsd             0008111
_diffrn_ambient_pressure         5.29e+06
_exptl_crystal_density_diffrn    3.336
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9006529
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006530
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 0.0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'D2 Mn O2'
_chemical_name_mineral           'Pyrochroite (deuterated)'
_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_length_a                   3.318
_cell_length_b                   3.318
_cell_length_c                   4.717
_cell_formula_units_Z            1
_cell_volume                     44.973
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.359
_cod_original_formula_sum        'Mn O2 D2'
_cod_database_code               9006530
_database_code_amcsd 0008112
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006531
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 0.7 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'D2 Mn O2'
_chemical_name_mineral           'Pyrochroite (deuterated)'
_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_length_a                   3.305
_cell_length_b                   3.305
_cell_length_c                   4.675
_cell_formula_units_Z            1
_cell_volume                     44.224
_diffrn_ambient_pressure         7e+05
_exptl_crystal_density_diffrn    3.416
_cod_original_formula_sum        'Mn O2 D2'
_cod_database_code               9006531
_database_code_amcsd 0008113
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 2.4 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006532
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 2.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'D2 Mn O2'
_chemical_name_mineral           'Pyrochroite (deuterated)'
_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_length_a                   3.281
_cell_length_b                   3.281
_cell_length_c                   4.579
_cell_formula_units_Z            1
_cell_volume                     42.689
_diffrn_ambient_pressure         2.4e+06
_exptl_crystal_density_diffrn    3.538
_cod_original_formula_sum        'Mn O2 D2'
_cod_database_code               9006532
_database_code_amcsd 0008114
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 4.6 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006533
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 4.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'D2 Mn O2'
_chemical_name_mineral           'Pyrochroite (deuterated)'
_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_length_a                   3.250
_cell_length_b                   3.250
_cell_length_c                   4.497
_cell_formula_units_Z            1
_cell_volume                     41.136
_diffrn_ambient_pressure         4.6e+06
_exptl_crystal_density_diffrn    3.672
_cod_original_formula_sum        'Mn O2 D2'
_cod_database_code               9006533
_database_code_amcsd 0008115
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.8 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006534
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 7.8 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_sum            'D2 Mn O2'
_chemical_name_mineral           'Pyrochroite (deuterated)'
_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_length_a                   3.208
_cell_length_b                   3.208
_cell_length_c                   4.416
_cell_formula_units_Z            1
_cell_volume                     39.358
_diffrn_ambient_pressure         7.8e+06
_exptl_crystal_density_diffrn    3.838
_cod_original_formula_sum        'Mn O2 D2'
_cod_database_code               9006534
_database_code_amcsd 0008116
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006535
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 0.0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_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_length_a                   3.1834
_cell_length_b                   3.1834
_cell_length_c                   4.6445
_cell_formula_units_Z            1
_cell_volume                     40.762
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.868
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006535
_database_code_amcsd 0008117
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.5 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006536
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 0.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_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_length_a                   3.167
_cell_length_b                   3.167
_cell_length_c                   4.600
_cell_formula_units_Z            1
_cell_volume                     39.956
_diffrn_ambient_pressure         5e+05
_exptl_crystal_density_diffrn    3.946
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006536
_database_code_amcsd 0008118
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 3.3 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006537
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 3.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_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_length_a                   3.139
_cell_length_b                   3.139
_cell_length_c                   4.483
_cell_formula_units_Z            1
_cell_volume                     38.254
_diffrn_ambient_pressure         3.3e+06
_exptl_crystal_density_diffrn    4.122
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006537
_database_code_amcsd 0008119
Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 5.6 GPa
Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.; Physics and Chemistry of Minerals 25 (1998) 130–137; doi:10.1007/s002690050095

data_9006538
_publ_section_title
;
 Pressure dependence of hydrogen bonding in metal deuteroxides:
 a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2.
 Sample: P = 5.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              130
_journal_page_last               137
_journal_paper_doi               10.1007/s002690050095
_journal_volume                  25
_journal_year                    1998
_chemical_formula_structural     Co(OD)2
_chemical_formula_sum            'Co D2 O2'
_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_length_a                   3.109
_cell_length_b                   3.109
_cell_length_c                   4.414
_cell_formula_units_Z            1
_cell_volume                     36.949
_diffrn_ambient_pressure         5.6e+06
_exptl_crystal_density_diffrn    4.268
_cod_original_formula_sum        'Co O2 D2'
_cod_database_code               9006538
_database_code_amcsd 0008120