LMucko/crystallography-open-database huggingface dataset:
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, X-ray diffraction
Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.; Journal of Solid State Chemistry 117 (1995) 165–176; doi:

data_9017508
_publ_section_title
;
 Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
 by powder diffraction methods
 Sample: SH1, X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               176
_journal_volume                  117
_journal_year                    1995
_chemical_compound_source        'Maurienne, France'
_chemical_formula_sum            'Ca2 H2 O9 S2'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.27
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   12.0317
_cell_length_b                   6.9272
_cell_length_c                   12.6711
_cell_volume                     1056.074
_database_code_amcsd             0013867
_exptl_crystal_density_diffrn    2.739
_cod_data_source_file            inputs/fixed/downloads/17/17191.cif
_cod_data_source_block           17191
_cod_original_formula_sum        'Ca2 S2 O9 H2'
_cod_database_code               9017508
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH1, neutron Diffraction
Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.; Journal of Solid State Chemistry 117 (1995) 165–176; doi:

data_9017509
_publ_section_title
;
 Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
 by powder diffraction methods
 Sample: SH1, neutron Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               176
_journal_volume                  117
_journal_year                    1995
_chemical_compound_source        'Maurienne, France'
_chemical_formula_sum            'Ca2 H2 O9 S2'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.27
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   12.0317
_cell_length_b                   6.9269
_cell_length_c                   12.6712
_cell_volume                     1056.036
_database_code_amcsd             0013868
_exptl_crystal_density_diffrn    2.739
_cod_data_source_file            inputs/fixed/downloads/17/17192.cif
_cod_data_source_block           17192
_cod_original_formula_sum        'Ca2 S2 O9 H2'
_cod_database_code               9017509
_cod_duplicate_entry 9012209
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, X-ray diffraction
Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.; Journal of Solid State Chemistry 117 (1995) 165–176; doi:

data_9017510
_publ_section_title
;
 Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
 by powder diffraction methods
 Sample: SH2, X-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               176
_journal_volume                  117
_journal_year                    1995
_chemical_compound_source        'Maurienne, France'
_chemical_formula_sum            'Ca3 H3.6 O13.8 S3'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9845
_cell_length_b                   6.9292
_cell_length_c                   12.7505
_cell_volume                     1058.840
_database_code_amcsd             0013869
_exptl_crystal_density_diffrn    2.765
_cod_data_source_file            inputs/fixed/downloads/17/17193.cif
_cod_data_source_block           17193
_cod_original_sg_symbol_H-M      'I 2'
_cod_original_formula_sum        'Ca3 S3 O13.8 H3.6'
_cod_database_code               9017510
Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O) by powder diffraction methods Sample: SH2, neutron Diffraction
Bezou, C.; Nonat, A.; Mutin, J. C.; Christensen, A. N.; Lehmann, M. S.; Journal of Solid State Chemistry 117 (1995) 165–176; doi:

data_9017511
_publ_section_title
;
 Of the crystal structure of gamma-CaSO4, CaSO4*0.5(H2O), and CaSO4*0.6(H2O)
 by powder diffraction methods
 Sample: SH2, neutron Diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              165
_journal_page_last               176
_journal_volume                  117
_journal_year                    1995
_chemical_compound_source        'Maurienne, France'
_chemical_formula_sum            'Ca3 H3.6 O13.8 S3'
_chemical_name_mineral           Bassanite
_space_group_IT_number           5
_space_group_name_Hall           'I 2y'
_space_group_name_H-M_alt        'I 1 2 1'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9845
_cell_length_b                   6.9292
_cell_length_c                   12.7505
_cell_volume                     1058.840
_database_code_amcsd             0013870
_exptl_crystal_density_diffrn    2.765
_cod_data_source_file            inputs/fixed/downloads/17/17194.cif
_cod_data_source_block           17194
_cod_original_sg_symbol_H-M      'I 2'
_cod_original_formula_sum        'Ca3 S3 O13.8 H3.6'
_cod_database_code               9017511
_cod_duplicate_entry 9012211
Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3
Masquelier, C.; d'Yvoire F; Collin, G.; Journal of Solid State Chemistry 118 (1995) 33–42; doi:

data_9017512
_publ_section_title
;
 Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3,
 two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              33
_journal_page_last               42
_journal_volume                  118
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As6 Fe4 Na6.88 O24'
_chemical_name_mineral           Yurmarinite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   13.807
_cell_length_b                   13.807
_cell_length_c                   18.354
_cell_formula_units_Z            6
_cell_volume                     3030.121
_database_code_amcsd             0019957
_exptl_crystal_density_diffrn    3.995
_cod_data_source_file            inputs/fixed/downloads/17/17196.cif
_cod_data_source_block           17196
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Na6.88 Fe4 As6 O24'
_cod_database_code               9017512
Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3, two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3
Masquelier, C.; d'Yvoire F; Collin, G.; Journal of Solid State Chemistry 118 (1995) 33–42; doi:

data_9017513
_publ_section_title
;
 Crystal structure of Na7Fe4(AsO4)6 and alpha-Na3Al2(AsO4)3,
 two sodium ion conductors structurally related to II-Na3Fe2(AsO4)3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              33
_journal_page_last               42
_journal_volume                  118
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 As3 Na3 O12'
_space_group_IT_number           5
_space_group_name_Hall           'C 2y'
_space_group_name_H-M_alt        'C 1 2 1'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.95
_cell_angle_gamma                90
_cell_length_a                   14.576
_cell_length_b                   13.409
_cell_length_c                   9.728
_cell_formula_units_Z            8
_cell_volume                     1887.363
_database_code_amcsd             0019958
_exptl_crystal_density_diffrn    3.799
_cod_data_source_file            inputs/fixed/downloads/17/17197.cif
_cod_data_source_block           17197
_cod_original_formula_sum        'Na3 Al2 As3 O12'
_cod_database_code               9017513
_amcsd_formula_title             Na3Al3(AsO4)3
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure refinements at 100 K Sample: T = 100 K
Yang, P.; Armbruster, T.; Journal of Solid State Chemistry 123 (1996) 140–149; doi:

data_9017514
_publ_section_title
;
 Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure
 refinements at 100 K
 Sample: T = 100 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              140
_journal_page_last               149
_journal_volume                  123
_journal_year                    1996
_chemical_compound_source        'Nasik, India'
_chemical_formula_sum            'Al4.3 Ca0.76 H21.4 Na2.84 O46.7 Si13.7'
_chemical_name_mineral           Heulandite-Na
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.47
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.6770
_cell_length_b                   17.931
_cell_length_c                   7.426
_cell_volume                     2107.039
_database_code_amcsd             0013884
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.152
_cod_data_source_file            inputs/fixed/downloads/17/17218.cif
_cod_data_source_block           17218
_cod_original_formula_sum        'Na2.84 Ca.76 (Al4.3 Si13.7) O46.7 H21.4'
_cod_database_code               9017514
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R.; Journal of Solid State Chemistry 182 (2009) 253–258; doi:

data_9017515
_publ_section_title
;
 Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               258
_journal_volume                  182
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu K Na O10 Si4'
_chemical_name_mineral           Litidionite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.559
_cell_angle_beta                 99.534
_cell_angle_gamma                114.156
_cell_length_a                   6.9704
_cell_length_b                   8.0111
_cell_length_c                   9.7896
_cell_formula_units_Z            2
_cell_volume                     456.317
_database_code_amcsd             0019812
_exptl_crystal_density_diffrn    2.896
_cod_data_source_file            inputs/fixed/downloads/17/17423.cif
_cod_data_source_block           17423
_cod_original_formula_sum        'K Na Cu Si4 O10'
_cod_database_code               9017515
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R.; Journal of Solid State Chemistry 182 (2009) 253–258; doi:

data_9017516
_publ_section_title
;
 Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               258
_journal_volume                  182
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe K Na O10 Si4'
_chemical_name_mineral           Fenaksite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.778
_cell_angle_beta                 100.60
_cell_angle_gamma                114.262
_cell_length_a                   6.9742
_cell_length_b                   8.1326
_cell_length_c                   9.9301
_cell_formula_units_Z            2
_cell_volume                     465.218
_database_code_amcsd             0019813
_exptl_crystal_density_diffrn    2.786
_cod_data_source_file            inputs/fixed/downloads/17/17424.cif
_cod_data_source_block           17424
_cod_original_formula_sum        'K Na Fe Si4 O10'
_cod_database_code               9017516
Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
Brandao, P.; Rocha, J.; Reis, M. S.; dos Santos, A. M.; Jin, R.; Journal of Solid State Chemistry 182 (2009) 253–258; doi:

data_9017517
_publ_section_title
;
 Magnetic properties of KNaMSi4O10 compounds (M=Mn,Fe,Cu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               258
_journal_volume                  182
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K Mn Na O10 Si4'
_chemical_name_mineral           Manaksite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.700
_cell_angle_beta                 99.507
_cell_angle_gamma                114.577
_cell_length_a                   6.9851
_cell_length_b                   8.1825
_cell_length_c                   9.9747
_cell_formula_units_Z            2
_cell_volume                     473.339
_database_code_amcsd             0019814
_exptl_crystal_density_diffrn    2.732
_cod_data_source_file            inputs/fixed/downloads/17/17425.cif
_cod_data_source_block           17425
_cod_original_formula_sum        'K Na Mn Si4 O10'
_cod_database_code               9017517
The Structure of Hematite
Pauling, L.; Hendricks, S.; Journal of the American Chemical Society 47 (1925) 781–790; doi:

data_9017518
_publ_section_title
;
 The Structure of Hematite
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              781
_journal_page_last               790
_journal_volume                  47
_journal_year                    1925
_chemical_formula_sum            'Fe O3'
_chemical_name_mineral           Hematite
_space_group_IT_number           161
_space_group_name_Hall           'P 3* -2n'
_space_group_name_H-M_alt        'R 3 c :R'
_symmetry_space_group_name_H-M   'R 3 c :R'
_cell_angle_alpha                55.28
_cell_angle_beta                 55.28
_cell_angle_gamma                55.28
_cell_length_a                   5.43
_cell_length_b                   5.43
_cell_length_c                   5.43
_cell_formula_units_Z            2
_cell_volume                     100.792
_database_code_amcsd             0018106
_exptl_crystal_density_diffrn    3.422
_cod_data_source_file            inputs/fixed/downloads/17/17487.cif
_cod_data_source_block           17487
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_database_code               9017518
A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns
Shin HS; Journal of the Korean Ceramic Society 35 (1998) 1113–1119; doi:

data_9017519
_publ_section_title
;
 A study on the structure of maghemite (gamma-Fe2O3)
 I. Rietveld analysis of powder XRD patterns
;
_journal_name_full               'Journal of the Korean Ceramic Society'
_journal_page_first              1113
_journal_page_last               1119
_journal_volume                  35
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.645 O3.99'
_chemical_name_mineral           Maghemite
_space_group_IT_number           212
_space_group_name_Hall           'P 4acd 2ab 3'
_space_group_name_H-M_alt        'P 43 3 2'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3457
_cell_length_b                   8.3457
_cell_length_c                   8.3457
_cell_formula_units_Z            8
_cell_volume                     581.284
_database_code_amcsd             0020518
_exptl_crystal_density_diffrn    4.835
_cod_data_source_file            inputs/fixed/downloads/17/17610.cif
_cod_data_source_block           17610
_cod_database_code               9017519
A study on the structure of maghemite (gamma-Fe2O3) I. Rietveld analysis of powder XRD patterns
Shin HS; Journal of the Korean Ceramic Society 35 (1998) 1113–1119; doi:

data_9017520
_publ_section_title
;
 A study on the structure of maghemite (gamma-Fe2O3)
 I. Rietveld analysis of powder XRD patterns
;
_journal_name_full               'Journal of the Korean Ceramic Society'
_journal_page_first              1113
_journal_page_last               1119
_journal_volume                  35
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe1.966 O2.962'
_chemical_name_mineral           Maghemite
_space_group_IT_number           96
_space_group_name_Hall           'P 4nw 2abw'
_space_group_name_H-M_alt        'P 43 21 2'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.346
_cell_length_b                   8.346
_cell_length_c                   25.034
_cell_formula_units_Z            32
_cell_volume                     1743.761
_database_code_amcsd             0020519
_exptl_crystal_density_diffrn    4.791
_cod_data_source_file            inputs/fixed/downloads/17/17611.cif
_cod_data_source_block           17611
_cod_database_code               9017520
Anisotropic thermal expansion of indium Sample: 99.9999% indium Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017521
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: 99.9999% indium
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.2530
_cell_length_b                   3.2530
_cell_length_c                   4.9455
_cell_formula_units_Z            2
_cell_volume                     52.333
_database_code_amcsd             0014125
_exptl_crystal_density_diffrn    7.286
_cod_data_source_file            inputs/fixed/downloads/17/17612.cif
_cod_data_source_block           17612
_cod_database_code               9017521
Anisotropic thermal expansion of indium Sample: 99.999% indium Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017522
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: 99.999% indium
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.2521
_cell_length_b                   3.2521
_cell_length_c                   4.9479
_cell_formula_units_Z            2
_cell_volume                     52.330
_database_code_amcsd             0014126
_exptl_crystal_density_diffrn    7.287
_cod_data_source_file            inputs/fixed/downloads/17/17613.cif
_cod_data_source_block           17613
_cod_database_code               9017522
Anisotropic thermal expansion of indium Sample: 99.97% indium Note: converted from kx units
Smith, J. F.; Schneider, V. L.; Journal of the Less-Common Metals 7 (1964) 17–22; doi:

data_9017523
_publ_section_title
;
 Anisotropic thermal expansion of indium
 Sample: 99.97% indium
 Note: converted from kx units
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  7
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            In
_chemical_name_mineral           Indium
_space_group_IT_number           139
_space_group_name_Hall           '-I 4 2'
_space_group_name_H-M_alt        'I 4/m m m'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.2523
_cell_length_b                   3.2523
_cell_length_c                   4.9479
_cell_formula_units_Z            2
_cell_volume                     52.336
_database_code_amcsd             0014127
_exptl_crystal_density_diffrn    7.286
_cod_data_source_file            inputs/fixed/downloads/17/17614.cif
_cod_data_source_block           17614
_cod_database_code               9017523