LMucko/crystallography-open-database huggingface dataset:
The structure of rhombic sulphur
Warren, B E; Burwell, J T; Journal of Chemical Physics 3 (1935) 6–8; doi:10.1063/1.1749557

data_1011160
_publ_section_title              'The structure of rhombic sulphur'
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6
_journal_page_last               8
_journal_paper_doi               10.1063/1.1749557
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        synthetic
_chemical_formula_structural     S8
_chemical_formula_sum            S8
_chemical_name_common            Sulfur
_chemical_name_mineral           Sulfur
_chemical_name_systematic        'Octasulfur - $-alpha'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.48
_cell_length_b                   12.92
_cell_length_c                   24.54999
_cell_volume                     3324.1
_exptl_crystal_density_meas      2.04
_cod_original_sg_symbol_H-M      'F d d d S'
_cod_database_code               1011160
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Harker, D; Journal of Chemical Physics 4 (1936) 381–390; doi:10.1063/1.1749863

data_1011161
_publ_section_title
;
The application of the three-dimensional patterson method and the
crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb
S3
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              381
_journal_page_last               390
_journal_paper_doi               10.1063/1.1749863
_journal_volume                  4
_journal_year                    1936
_chemical_compound_source        'from Schneeberg, Saxony'
_chemical_formula_structural     'Ag3 (As S3)'
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Proustite
_chemical_name_systematic        'Silver trithioarsenate(III)'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_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_formula_units_Z            6
_cell_length_a                   10.74
_cell_length_b                   10.74
_cell_length_c                   8.64
_cell_volume                     863.1
_exptl_crystal_density_meas      5.59(3)
_cod_original_sg_symbol_H-M      'R 3 c H'
_cod_database_code               1011161
The application of the three-dimensional patterson method and the crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb S3
Harker, D; Journal of Chemical Physics 4 (1936) 381–390; doi:10.1063/1.1749863

data_1011162
_publ_section_title
;
The application of the three-dimensional patterson method and the
crystal structures of proustite, Ag3 As S3, and pyrargyrite, Ag3 Sb
S3
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              381
_journal_page_last               390
_journal_paper_doi               10.1063/1.1749863
_journal_volume                  4
_journal_year                    1936
_chemical_compound_source        'from Freiberg, Saxony'
_chemical_formula_structural     'Ag3 (Sb S3)'
_chemical_formula_sum            'Ag3 S3 Sb'
_chemical_name_mineral           Pyrargyrite
_chemical_name_systematic        'Silver trithioantimonate(III)'
_space_group_IT_number           161
_symmetry_cell_setting           trigonal
_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_formula_units_Z            6
_cell_length_a                   11.04
_cell_length_b                   11.04
_cell_length_c                   8.71
_cell_volume                     919.4
_exptl_crystal_density_meas      5.8(5)
_cod_original_sg_symbol_H-M      'R 3 c H'
_cod_database_code               1011162
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011163
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.911 O'
_chemical_formula_sum            'Fe0.911 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.91/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.2816
_cell_length_b                   4.2816
_cell_length_c                   4.2816
_cell_volume                     78.5
_exptl_crystal_density_meas      5.61
_cod_original_formula_sum        'Fe.911 O'
_cod_database_code               1011163
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011164
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.918 O'
_chemical_formula_sum            'Fe0.918 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.92/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.2847
_cell_length_b                   4.2847
_cell_length_c                   4.2847
_cell_volume                     78.7
_exptl_crystal_density_meas      5.62
_cod_original_formula_sum        'Fe.918 O'
_cod_database_code               1011164
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011165
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.929 O'
_chemical_formula_sum            'Fe0.929 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.93/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.2909
_cell_length_b                   4.2909
_cell_length_c                   4.2909
_cell_volume                     79.0
_exptl_crystal_density_meas      5.64
_cod_original_formula_sum        'Fe.929 O'
_cod_database_code               1011165
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011166
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.932 O'
_chemical_formula_sum            'Fe0.932 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.93/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.2909
_cell_length_b                   4.2909
_cell_length_c                   4.2909
_cell_volume                     79.0
_exptl_crystal_density_meas      5.66
_cod_original_formula_sum        'Fe.932 O'
_cod_database_code               1011166
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011167
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.944 O'
_chemical_formula_sum            'Fe0.944 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.94/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.2997
_cell_length_b                   4.2997
_cell_length_c                   4.2997
_cell_volume                     79.5
_exptl_crystal_density_meas      5.72
_cod_original_formula_sum        'Fe.944 O'
_cod_database_code               1011167
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011168
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'synthetic at 1323 K for 1d, rapidly cooled'
_chemical_formula_structural     'Fe.944 O'
_chemical_formula_sum            'Fe0.944 O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide (0.94/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.301
_cell_length_b                   4.301
_cell_length_c                   4.301
_cell_volume                     79.6
_exptl_crystal_density_meas      5.73
_cod_original_formula_sum        'Fe.944 O'
_cod_database_code               1011168
An x-ray study of the wuestite (Fe O) solid solutions
Jette, E R; Foote, F; Journal of Chemical Physics 1 (1933) 29–36; doi:10.1063/1.1749215

data_1011169
_publ_section_title
;
An x-ray study of the wuestite (Fe O) solid solutions
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              29
_journal_page_last               36
_journal_paper_doi               10.1063/1.1749215
_journal_volume                  1
_journal_year                    1933
_chemical_compound_source        'hypothetical stoichometric end-member'
_chemical_formula_structural     'Fe O'
_chemical_formula_sum            'Fe O'
_chemical_name_mineral           Wuestite
_chemical_name_systematic        'Iron oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.332
_cell_length_b                   4.332
_cell_length_c                   4.332
_cell_volume                     81.3
_exptl_crystal_density_meas      5.8
_cod_database_code               1011169
The crystal structure of wulfenite and scheelite
Dickinson, R G; Journal of the American Chemical Society 42 (1920) 85–93; doi:10.1021/ja01446a012

data_1011170
_publ_section_title
;
The crystal structure of wulfenite and scheelite
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              85
_journal_page_last               93
_journal_paper_doi               10.1021/ja01446a012
_journal_volume                  42
_journal_year                    1920
_chemical_formula_structural     'Pb (Mo O4)'
_chemical_formula_sum            'Mo O4 Pb'
_chemical_name_mineral           Wulfenite
_chemical_name_systematic        'Lead molybdate'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.47
_cell_length_b                   5.47
_cell_length_c                   12.08
_cell_volume                     361.4
_exptl_crystal_density_meas      6.82
_cod_original_sg_symbol_H-M      'I 41/a S'
_cod_database_code               1011170
The crystal structure of wulfenite and scheelite
Dickinson, R G; Journal of the American Chemical Society 42 (1920) 85–93; doi:10.1021/ja01446a012

data_1011171
_publ_section_title
;
The crystal structure of wulfenite and scheelite
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              85
_journal_page_last               93
_journal_paper_doi               10.1021/ja01446a012
_journal_volume                  42
_journal_year                    1920
_chemical_compound_source        'from Korea'
_chemical_formula_structural     'Ca (W O4)'
_chemical_formula_sum            'Ca O4 W'
_chemical_name_mineral           Scheelite
_chemical_name_systematic        'Calcium tungstate'
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.62
_cell_length_b                   5.62
_cell_length_c                   11.4
_cell_volume                     360.1
_exptl_crystal_density_meas      6.06
_cod_original_sg_symbol_H-M      'I 41/a S'
_cod_database_code               1011171
Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz
Brill, R; Hermann, C; Peters, C; Naturwissenschaften 27 (1939) 676–677; doi:10.1007/BF01494994

data_1011172
_publ_section_title
;
Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung
im Quarz
;
_journal_coden_ASTM              NATWAY
_journal_name_full               Naturwissenschaften
_journal_page_first              676
_journal_page_last               677
_journal_paper_doi               10.1007/BF01494994
_journal_volume                  27
_journal_year                    1939
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Quartz low'
_chemical_name_systematic        'Silicon oxide $-alpha'
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.913
_cell_length_b                   4.913
_cell_length_c                   5.405
_cell_volume                     113.0
_exptl_crystal_density_meas      2.66
_cod_database_code               1011172
Crystal structure
Bragg, W L; Nature (London) 105 (1920) 646–648; doi:10.1038/105646a0

data_1011173
_publ_section_title              'Crystal structure'
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              646
_journal_page_last               648
_journal_paper_doi               10.1038/105646a0
_journal_volume                  105
_journal_year                    1920
_chemical_formula_structural     'Mg O'
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_chemical_name_systematic        'Magnesium oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   4.22
_cell_length_b                   4.22
_cell_length_c                   4.22
_cell_volume                     75.2
_exptl_crystal_density_meas      3.56
_cod_database_code               1011173
Crystal structure and shape of colloidal particles of vanadium pentoxide
Ketelaar, J A A; Nature (London) 137 (1936) 316–316; doi:

data_1011174
_publ_section_title
;
Crystal structure and shape of colloidal particles of vanadium pentoxide
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              316
_journal_page_last               316
_journal_volume                  137
_journal_year                    1936
_chemical_compound_source        'synthetic from melt'
_chemical_formula_structural     'V2 O5'
_chemical_formula_sum            'O5 V2'
_chemical_name_mineral           Shcherbianite
_chemical_name_systematic        'Vanadium oxide'
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.48(1)
_cell_length_b                   4.360(5)
_cell_length_c                   3.555(5)
_cell_volume                     177.9
_exptl_crystal_density_meas      3.32
_cod_database_code               1011174
Crystal structure of bismuth oxyhalides
Bannister, F A; Nature (London) 134 (1934) 856–857; doi:

data_1011175
_publ_section_title              'Crystal structure of bismuth oxyhalides'
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              856
_journal_page_last               857
_journal_volume                  134
_journal_year                    1934
_chemical_compound_source        synthetic
_chemical_formula_structural     'Bi O Cl'
_chemical_formula_sum            'Bi Cl O'
_chemical_name_mineral           Bismoclite
_chemical_name_systematic        'Bismuth oxide chloride'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.89
_cell_length_b                   3.89
_cell_length_c                   7.37
_cell_volume                     111.5
_cod_original_sg_symbol_H-M      'P 4/n m m S'
_cod_database_code               1011175
Die Kristallstruktur von Tiefquarz Si O2 und Aluminiumorthoarsenat Al As O4
Machatschki, F; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 222–230; doi:

data_1011176
_publ_section_title
;
Die Kristallstruktur von Tiefquarz Si O2 und Aluminiumorthoarsenat Al
As O4
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              222
_journal_page_last               230
_journal_volume                  94
_journal_year                    1936
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Quartz low'
_chemical_name_systematic        'Silicon oxide - $-alpha'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      154
_symmetry_space_group_name_H-M   'P 32 2 1 S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.9
_cell_length_b                   4.9
_cell_length_c                   5.4
_cell_volume                     112.3
_exptl_crystal_density_meas      2.66
_cod_database_code               1011176