LMucko/crystallography-open-database huggingface dataset:
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperature Sample at 425 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004139
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structures of rutile and brookite at high temperature
 Sample at 425 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Brookite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.191
_cell_length_b                   5.463
_cell_length_c                   5.157
_cell_formula_units_Z            8
_cell_volume                     258.935
_database_code_amcsd             0005162
_exptl_crystal_density_diffrn    4.098
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004139
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structures of rutile and brookite at high temperatures Sample at 625 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004140
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structures of rutile and brookite at high temperatures
 Sample at 625 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Brookite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.211
_cell_length_b                   5.472
_cell_length_c                   5.171
_cell_formula_units_Z            8
_cell_volume                     260.632
_database_code_amcsd             0005163
_exptl_crystal_density_diffrn    4.071
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004140
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 25 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004141
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structure of rutile and brookite at high temperature
 Sample at 25 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.593
_cell_length_b                   4.593
_cell_length_c                   2.959
_cell_formula_units_Z            2
_cell_volume                     62.422
_database_code_amcsd             0005164
_exptl_crystal_density_diffrn    4.250
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004141
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 300 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004142
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structure of rutile and brookite at high temperature
 Sample at 300 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.603
_cell_length_b                   4.603
_cell_length_c                   2.966
_cell_formula_units_Z            2
_cell_volume                     62.842
_database_code_amcsd             0005165
_exptl_crystal_density_diffrn    4.221
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004142
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 600 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004143
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structure of rutile and brookite at high temperature
 Sample at 600 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.616
_cell_length_b                   4.616
_cell_length_c                   2.977
_cell_formula_units_Z            2
_cell_volume                     63.432
_database_code_amcsd             0005166
_exptl_crystal_density_diffrn    4.182
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004143
Polyhedral thermal expansion in the TiO2 polymorphs: Refinement of the crystal structure of rutile and brookite at high temperature Sample at 900 degrees C
Meagher, E. P.; Lager, G. A.; The Canadian Mineralogist 17 (1979) 77–85; doi:

data_9004144
_publ_section_title
;
 Polyhedral thermal expansion in the TiO2 polymorphs: Refinement
 of the crystal structure of rutile and brookite at high temperature
 Sample at 900 degrees C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              77
_journal_page_last               85
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.623
_cell_length_b                   4.623
_cell_length_c                   2.986
_cell_formula_units_Z            2
_cell_volume                     63.817
_database_code_amcsd             0005167
_exptl_crystal_density_diffrn    4.157
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9004144
The crystal structure of morinite
Hawthorne, F. C.; The Canadian Mineralogist 17 (1979) 93–102; doi:

data_9004145
_publ_section_title
;
 The crystal structure of morinite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               102
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'Al2 Ca2 F4 H5 Na O11 P2'
_chemical_name_mineral           Morinite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.5
_cell_angle_gamma                90
_cell_length_a                   9.454
_cell_length_b                   10.692
_cell_length_c                   5.444
_cell_formula_units_Z            2
_cell_volume                     530.277
_database_code_amcsd             0005168
_exptl_crystal_density_diffrn    2.982
_cod_original_formula_sum        'Ca2 Al2 Na P2 O11 F4 H5'
_cod_database_code               9004145
The crystal structure of platarsite, Pt(As,S)2, and a comparison with sperrylite, PtAs2
Szymanski, J. T.; The Canadian Mineralogist 17 (1979) 117–123; doi:

data_9004146
_publ_section_title
;
 The crystal structure of platarsite, Pt(As,S)2, and a comparison with
 sperrylite, PtAs2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              117
_journal_page_last               123
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'As2 Ir0.05 Os0.01 Pt0.35 Rh0.31 Ru0.29 S2'
_chemical_name_mineral           Platarsite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.788
_cell_length_b                   5.788
_cell_length_c                   5.788
_cell_formula_units_Z            4
_cell_volume                     193.903
_exptl_crystal_density_diffrn    12.160
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pt.35 Rh.31 Ru.29 Ir.05 Os.01 (As2 S2)'
_cod_database_code               9004146
The crystal structure of benjaminite Cu.5Pb.4Ag2.3Bi6.8S12
Makovicky, E.; Mumme, W. G.; The Canadian Mineralogist 17 (1979) 607–618; doi:

data_9004147
_publ_section_title
;
 The crystal structure of benjaminite Cu.5Pb.4Ag2.3Bi6.8S12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              607
_journal_page_last               618
_journal_volume                  17
_journal_year                    1979
_chemical_formula_sum            'Ag2.3 Bi6.7 Cu0.5 Pb0.4 S12'
_chemical_name_mineral           Benjaminite
_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                 103.32
_cell_angle_gamma                90
_cell_length_a                   13.299
_cell_length_b                   4.070
_cell_length_c                   20.209
_cell_formula_units_Z            2
_cell_volume                     1064.425
_database_code_amcsd             0005170
_exptl_crystal_density_diffrn    6.701
_cod_original_formula_sum        'Ag2.3 Cu.5 Bi6.7 Pb.4 S12'
_cod_database_code               9004147
Studies of the sulfosalts of copper VII. Crystal structures of the exolution products Cu12.3Sb4S13 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite Sample: Cu-poor tetrahedrite Cu12.3Sb4S13
Makovicky, E.; Skinner, B. J.; The Canadian Mineralogist 17 (1979) 619–634; doi:

data_9004148
_publ_section_title
;
 Studies of the sulfosalts of copper
 VII. Crystal structures of the exolution products Cu12.3Sb4S13
 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite
 Sample: Cu-poor tetrahedrite Cu12.3Sb4S13
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              619
_journal_page_last               634
_journal_volume                  17
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu11.4 S12.77 Sb4'
_chemical_name_mineral           Tetrahedrite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.323
_cell_length_b                   10.323
_cell_length_c                   10.323
_cell_formula_units_Z            2
_cell_volume                     1100.064
_database_code_amcsd             0005171
_exptl_crystal_density_diffrn    4.893
_cod_database_code               9004148
Studies of the sulfosalts of copper VII. Crystal structures of the exolution products Cu12.3Sb4S13 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite Sample: Cu-rich tetrahedrite Cu13.8Sb4S13
Makovicky, E.; Skinner, B. J.; The Canadian Mineralogist 17 (1979) 619–634; doi:

data_9004149
_publ_section_title
;
 Studies of the sulfosalts of copper
 VII. Crystal structures of the exolution products Cu12.3Sb4S13
 and Cu13.8Sb4S13 of unsubstituted synthetic tetrahedrite
 Sample: Cu-rich tetrahedrite Cu13.8Sb4S13
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              619
_journal_page_last               634
_journal_volume                  17
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu10.02 S12.88 Sb4'
_chemical_name_mineral           Tetrahedrite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.448
_cell_length_b                   10.448
_cell_length_c                   10.448
_cell_formula_units_Z            2
_cell_volume                     1140.511
_database_code_amcsd             0005172
_exptl_crystal_density_diffrn    4.475
_cod_database_code               9004149
Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden: A higher homologue of galenobismutite
Mumme, W. G.; The Canadian Mineralogist 18 (1980) 1–12; doi:

data_9004150
_publ_section_title
;
 Weibullite Ag0.32Pb5.09Bi8.55Se6.08S11.92 from Falun, Sweden:
 A higher homologue of galenobismutite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1
_journal_page_last               12
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source        'Falun, Sweden'
_chemical_formula_sum            'Ag0.33 Bi8.34 Pb5.33 S15.03 Se2.97'
_chemical_name_mineral           Weibullite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   53.68
_cell_length_b                   4.11
_cell_length_c                   15.40
_cell_formula_units_Z            4
_cell_volume                     3397.622
_database_code_amcsd             0005173
_exptl_crystal_density_diffrn    7.036
_cod_original_formula_sum        'Pb5.33 Bi8.34 Ag.33 S15.03 Se2.97'
_cod_database_code               9004150
Crystal chemistry of milarite Note: sample Kings Mt.(31)
Cerny, P.; Hawthorne, F. C.; Jarosewich, E.; The Canadian Mineralogist 18 (1980) 41–57; doi:

data_9004151
_publ_section_title
;
 Crystal chemistry of milarite
 Note: sample Kings Mt.(31)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              41
_journal_page_last               57
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source        'Kings Mt., North Carolina, USA'
_chemical_formula_sum
'Al0.885 Be2.115 Ca2 H1.36 K1.06 Na0.076 O30.68 Si12'
_chemical_name_mineral           Milarite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.420
_cell_length_b                   10.420
_cell_length_c                   13.810
_cell_volume                     1298.553
_database_code_amcsd             0005174
_exptl_crystal_density_diffrn    2.546
_cod_original_formula_sum
'Ca2 Na.076 K1.06 O30.68 Si12 (Be2.115 Al.885) H1.36'
_cod_database_code               9004151
Crystal chemistry of milarite Note: sample Vezna(29a), radial fibrous
Cerny, P.; Hawthorne, F. C.; Jarosewich, E.; The Canadian Mineralogist 18 (1980) 41–57; doi:

data_9004152
_publ_section_title
;
 Crystal chemistry of milarite
 Note: sample Vezna(29a), radial fibrous
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              41
_journal_page_last               57
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source        'Vezna west, Czechoslovakia'
_chemical_formula_sum
'Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.92 Si12'
_chemical_name_mineral           Milarite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.428
_cell_length_b                   10.428
_cell_length_c                   13.675
_cell_volume                     1287.834
_database_code_amcsd             0005175
_exptl_crystal_density_diffrn    2.790
_cod_original_formula_sum
'Ca4 Na.24 K1.184 O30.92 Si12 (Be2.55 Al.45) H2.72'
_cod_database_code               9004152
Crystal chemistry of milarite Note: sample Vezna(29b), radial fibrous
Cerny, P.; Hawthorne, F. C.; Jarosewich, E.; The Canadian Mineralogist 18 (1980) 41–57; doi:

data_9004153
_publ_section_title
;
 Crystal chemistry of milarite
 Note: sample Vezna(29b), radial fibrous
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              41
_journal_page_last               57
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source        'Vezna west, Czechoslovakia'
_chemical_formula_sum
'Al0.45 Be2.55 Ca4 H2.72 K1.184 Na0.24 O30.68 Si12'
_chemical_name_mineral           Milarite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.417
_cell_length_b                   10.417
_cell_length_c                   13.688
_cell_volume                     1286.341
_database_code_amcsd             0005176
_exptl_crystal_density_diffrn    2.783
_cod_original_cell_volume        1286.340
_cod_original_formula_sum
'Ca4 Na.24 K1.184 O30.68 Si12 (Be2.55 Al.45) H2.72'
_cod_database_code               9004153
A redetermination of the structure of Sb2VO5, stibivanite, a new mineral
Szymanski, J. T.; The Canadian Mineralogist 18 (1980) 333–337; doi:

data_9004154
_publ_section_title
;
 A redetermination of the structure of Sb2VO5, stibivanite, a new mineral
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              333
_journal_page_last               337
_journal_volume                  18
_journal_year                    1980
_chemical_formula_sum            'O5 Sb2 V'
_chemical_name_mineral           Stibivanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.15
_cell_angle_gamma                90
_cell_length_a                   17.989
_cell_length_b                   4.7924
_cell_length_c                   5.500
_cell_formula_units_Z            4
_cell_volume                     472.244
_database_code_amcsd             0005177
_exptl_crystal_density_diffrn    5.267
_cod_original_formula_sum        'Sb2 V O5'
_cod_database_code               9004154
Crystal structure of two ferrian ulvospinels from British Columbia Note: sample NR5 Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada
Stout, M. Z.; Bayliss, P.; The Canadian Mineralogist 18 (1980) 339–341; doi:

data_9004155
_publ_section_title
;Crystal structure of two ferrian ulvospinels from British Columbia Note:
 sample NR5 Locality: Aiyansh basalt lava flow, Nass River valley, British
 Columbia, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              339
_journal_page_last               341
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source
'Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada'
_chemical_formula_sum
'Al0.06 Ca0.01 Fe2.06 Mg0.1 Mn0.02 O4 Si0.01 Ti0.73 V0.01'
_chemical_name_mineral           Magnetite
_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                   8.481
_cell_length_b                   8.481
_cell_length_c                   8.481
_cell_volume                     610.016
_database_code_amcsd             0005178
_exptl_crystal_density_diffrn    4.798
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum
'Fe2.06 Ti.73 Mn.02 V.01 Ca.01 Si.01 Al.06 Mg.1 O4'
_cod_database_code               9004155
Crystal structure of two ferrian ulvospinels from British Columbia Note: sample IM7 Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada
Stout, M. Z.; Bayliss, P.; The Canadian Mineralogist 18 (1980) 339–341; doi:

data_9004156
_publ_section_title
;Crystal structure of two ferrian ulvospinels from British Columbia Note:
 sample IM7 Locality: Itcha Mountain hawaiite lava flow, central British
 Columbia, Canada
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              339
_journal_page_last               341
_journal_volume                  18
_journal_year                    1980
_chemical_compound_source
'Itcha Mountain hawaiite lava flow, central British Columbia, Canada'
_chemical_formula_sum
'Al0.05 Ca0.01 Fe2.1 Mg0.06 Mn0.02 O4 Si0.01 Ti0.74 V0.01'
_chemical_name_mineral           Magnetite
_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                   8.504
_cell_length_b                   8.504
_cell_length_c                   8.504
_cell_volume                     614.992
_database_code_amcsd             0005179
_exptl_crystal_density_diffrn    4.791
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum
'Fe2.1 Mn.02 V.01 Ti.74 Ca.01 Si.01 Al.05 Mg.06 O4'
_cod_database_code               9004156