LMucko/crystallography-open-database huggingface dataset:
Crystal structure and compression of ruby to 46 kbar P = 0.001 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009678
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 0.001 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7607
_cell_length_b                   4.7607
_cell_length_c                   12.9947
_cell_volume                     255.058
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.983
_cod_original_sg_symbol_H-M      'R -3 c'
_cell_formula_units_Z            6
_cod_database_code               9009678
_cod_duplicate_entry 5000092
Crystal structure and compression of ruby to 46 kbar P = 11 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009679
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 11 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7537
_cell_length_b                   4.7537
_cell_length_c                   12.9725
_cell_volume                     253.874
_database_code_amcsd             0012922
_diffrn_ambient_pressure         1.1e+06
_exptl_crystal_density_diffrn    4.001
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009679
Crystal structure and compression of ruby to 46 kbar P = 21 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009680
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 21 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7474
_cell_length_b                   4.7474
_cell_length_c                   12.9542
_cell_volume                     252.844
_database_code_amcsd             0012923
_diffrn_ambient_pressure         2.1e+06
_exptl_crystal_density_diffrn    4.018
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009680
Crystal structure and compression of ruby to 46 kbar P = 28 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009681
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 28 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7437
_cell_length_b                   4.7437
_cell_length_c                   12.9430
_cell_volume                     252.232
_database_code_amcsd             0012924
_diffrn_ambient_pressure         2.8e+06
_exptl_crystal_density_diffrn    4.028
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009681
Crystal structure and compression of ruby to 46 kbar P = 35 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009682
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 35 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7406
_cell_length_b                   4.7406
_cell_length_c                   12.9326
_cell_volume                     251.700
_database_code_amcsd             0012925
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    4.036
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009682
Crystal structure and compression of ruby to 46 kbar P = 46 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009683
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 46 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7352
_cell_length_b                   4.7352
_cell_length_c                   12.9176
_cell_volume                     250.836
_database_code_amcsd             0012926
_diffrn_ambient_pressure         4.6e+06
_exptl_crystal_density_diffrn    4.050
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009683
Crystal structure and compression of ruby to 46 kbar P = 80 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 49 (1978) 5823–5826; doi:10.1063/1.324598

data_9009684
_publ_section_title
;
 Crystal structure and compression of ruby to 46 kbar
 P = 80 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5823
_journal_page_last               5826
_journal_paper_doi               10.1063/1.324598
_journal_volume                  49
_journal_year                    1978
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.718
_cell_length_b                   4.718
_cell_length_c                   12.818
_cell_volume                     247.097
_database_code_amcsd             0012927
_diffrn_ambient_pressure         8e+06
_exptl_crystal_density_diffrn    4.111
_cell_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9009684
Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 10 K
Pluth, J. J.; Smith, J. V.; Faber, J.; Journal of Applied Physics 57 (1985) 1045–1049; doi:10.1063/1.334545

data_9009685
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 10 K
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1045
_journal_page_last               1049
_journal_paper_doi               10.1063/1.334545
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9570
_cell_length_b                   4.9570
_cell_length_c                   6.8903
_cell_formula_units_Z            4
_cell_volume                     169.307
_database_code_amcsd             0012928
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    2.357
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009685
Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 296 K
Pluth, J. J.; Smith, J. V.; Faber, J.; Journal of Applied Physics 57 (1985) 1045–1049; doi:10.1063/1.334545

data_9009686
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 296 K
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1045
_journal_page_last               1049
_journal_paper_doi               10.1063/1.334545
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9709
_cell_length_b                   4.9709
_cell_length_c                   6.9278
_cell_formula_units_Z            4
_cell_volume                     171.185
_database_code_amcsd             0012929
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    2.331
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009686
Crystal structure of low cristobalite at 10, 293, and 473 K: Variation of framework geometry with temperature Sample: T = 473 K
Pluth, J. J.; Smith, J. V.; Faber, J.; Journal of Applied Physics 57 (1985) 1045–1049; doi:10.1063/1.334545

data_9009687
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 473 K
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1045
_journal_page_last               1049
_journal_paper_doi               10.1063/1.334545
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9877
_cell_length_b                   4.9877
_cell_length_c                   6.9697
_cell_formula_units_Z            4
_cell_volume                     173.386
_database_code_amcsd             0012930
_diffrn_ambient_temperature      473
_exptl_crystal_density_diffrn    2.302
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009687
An X-ray diffraction investigation of sulphide spinels
Williamson, D. P.; Grimes, N. W.; Journal of Physics D: Applied Physics 7 (1974) 1–6; doi:10.1088/0022-3727/7/1/308

data_9009688
_publ_section_title
;
 An X-ray diffraction investigation of sulphide spinels
;
_journal_name_full               'Journal of Physics D: Applied Physics'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1088/0022-3727/7/1/308
_journal_volume                  7
_journal_year                    1974
_chemical_formula_sum            'Co2 Cu S4'
_chemical_name_mineral           Carrollite
_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                   9.478
_cell_length_b                   9.478
_cell_length_c                   9.478
_cell_formula_units_Z            8
_cell_volume                     851.432
_database_code_amcsd             0013181
_exptl_crystal_density_diffrn    4.832
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu Co2 S4'
_cod_database_code               9009688
Kationen-anionen-abstande in kupfer- und chrom-thiospinellen
Riedel, E.; Horvath, E.; Materials Research Bulletin 8 (1973) 973–982; doi:10.1016/0025-5408(73)90082-2

data_9009689
_publ_section_title
;
 Kationen-anionen-abstande in kupfer- und chrom-thiospinellen
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              973
_journal_page_last               982
_journal_paper_doi               10.1016/0025-5408(73)90082-2
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Co2 Cu S4'
_chemical_name_mineral           Carrollite
_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                   9.464
_cell_length_b                   9.464
_cell_length_c                   9.464
_cell_formula_units_Z            8
_cell_volume                     847.665
_database_code_amcsd             0014234
_exptl_crystal_density_diffrn    4.853
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu Co2 S4'
_cod_database_code               9009689
Kationen-anionen-abstande in kupfer- und chrom-thiospinellen
Riedel, E.; Horvath, E.; Materials Research Bulletin 8 (1973) 973–982; doi:10.1016/0025-5408(73)90082-2

data_9009690
_publ_section_title
;
 Kationen-anionen-abstande in kupfer- und chrom-thiospinellen
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              973
_journal_page_last               982
_journal_paper_doi               10.1016/0025-5408(73)90082-2
_journal_volume                  8
_journal_year                    1973
_chemical_formula_sum            'Co2 Cu S4'
_chemical_name_mineral           Carrollite
_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                   9.464
_cell_length_b                   9.464
_cell_length_c                   9.464
_cell_formula_units_Z            8
_cell_volume                     847.665
_database_code_amcsd             0014235
_exptl_crystal_density_diffrn    4.853
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu Co2 S4'
_cod_database_code               9009690
Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)
Pertlik, F.; Monatshefte fur Chemie 106 (1975) 755–762; doi:10.1007/BF00902181

data_9009691
_publ_section_title
;
 Die kristallstruktur der monoklinen form von As2O3 (Claudetit II)
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              755
_journal_page_last               762
_journal_paper_doi               10.1007/BF00902181
_journal_volume                  106
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 O3'
_chemical_name_mineral           'Claudetite II'
_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                 78.3
_cell_angle_gamma                90
_cell_length_a                   7.990
_cell_length_b                   4.645
_cell_length_c                   9.115
_cell_formula_units_Z            4
_cell_volume                     331.261
_database_code_amcsd             0014662
_exptl_crystal_density_diffrn    3.967
_cod_database_code               9009691
Die kristallstrukture der tieftemperaturmodifikation von Ag8GeS6 Note: z-coordinate of Ag6 altered to reproduce reported bond lengths
Eulenberger, G.; Monatshefte fur Chemie 108 (1977) 901–913; doi:10.1007/BF00898056

data_9009692
_publ_section_title
;
 Die kristallstrukture der tieftemperaturmodifikation von Ag8GeS6
 Note: z-coordinate of Ag6 altered to reproduce reported bond lengths
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              901
_journal_page_last               913
_journal_paper_doi               10.1007/BF00898056
_journal_volume                  108
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag8 Ge S6'
_chemical_name_mineral           Argyrodite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.149
_cell_length_b                   7.476
_cell_length_c                   10.589
_cell_formula_units_Z            4
_cell_volume                     1199.246
_database_code_amcsd             0014663
_exptl_crystal_density_diffrn    6.247
_cod_database_code               9009692
Verfeinerung der kristallstruktur des minerals claudetit
Pertlik, F.; Monatshefte fur Chemie 109 (1978) 277–282; doi:10.1007/BF00906344

data_9009693
_publ_section_title
;
 Verfeinerung der kristallstruktur des minerals claudetit
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1007/BF00906344
_journal_volume                  109
_journal_year                    1978
_chemical_formula_sum            'As2 O3'
_chemical_name_mineral           Claudetite
_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                 93.88
_cell_angle_gamma                90
_cell_length_a                   5.25
_cell_length_b                   12.99
_cell_length_c                   4.53
_cell_formula_units_Z            4
_cell_volume                     308.227
_database_code_amcsd             0014664
_exptl_crystal_density_diffrn    4.263
_cod_database_code               9009693
Cu2O(SO4), dolerophanite: Refinement of the crystal structure with a comparison of [OCu(II)4] tetrahedra in inorganic compounds
Effenberger, H.; Monatshefte fur Chemie 116 (1985) 927–931; doi:10.1007/BF00809186

data_9009694
_publ_section_title
;
 Cu2O(SO4), dolerophanite: Refinement of the crystal structure with
 a comparison of [OCu(II)4] tetrahedra in inorganic compounds
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              927
_journal_page_last               931
_journal_paper_doi               10.1007/BF00809186
_journal_volume                  116
_journal_year                    1985
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 O5 S'
_chemical_name_mineral           Dolerophanite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.34
_cell_angle_gamma                90
_cell_length_a                   9.370
_cell_length_b                   6.319
_cell_length_c                   7.639
_cell_formula_units_Z            4
_cell_volume                     382.141
_database_code_amcsd             0014667
_exptl_crystal_density_diffrn    4.157
_cod_original_formula_sum        'Cu2 S O5'
_cod_database_code               9009694
Redetermination of the crystal structure of vesignieite Note: y- and z-coordinates of Ba altered
Zhesheng, M.; Ruilin, H.; Xiaoling, Z.; Acta Geologica Sinica 4 (1991) 145–151; doi:10.1111/j.1755-6724.1991.mp4002003.x

data_9009695
_publ_section_title
;
 Redetermination of the crystal structure of vesignieite
 Note: y- and z-coordinates of Ba altered
;
_journal_name_full               'Acta Geologica Sinica'
_journal_page_first              145
_journal_page_last               151
_journal_paper_doi               10.1111/j.1755-6724.1991.mp4002003.x
_journal_volume                  4
_journal_year                    1991
_chemical_compound_source
'Chigou black shale system, Ankang county, Shaanxi Province, China'
_chemical_formula_sum            'Ba Cu3 H2 O10 V2'
_chemical_name_mineral           Vesignieite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.42
_cell_angle_gamma                90
_cell_length_a                   10.270
_cell_length_b                   5.911
_cell_length_c                   7.711
_cell_formula_units_Z            2
_cell_volume                     419.213
_database_code_amcsd             0011973
_exptl_crystal_density_diffrn    4.689
_cod_original_formula_sum        'Cu3 Ba V2 O10 H2'
_cod_database_code               9009695