LMucko/crystallography-open-database huggingface dataset:
The crystal structure of Pb2±bearing graeserite, Pb0.14(Fe,Ti)7AsO12+x(OH)2-x, a mineral of the derbylite group Locality: Gorb, Binn valley, Western Alps, Switzerland
Berlepsch, P.; Armbruster, T.; Schweizerische Mineralogische und Petrographische Mitteilungen 78 (1998) 1–9; doi:

data_9012872
_publ_section_title
;The crystal structure of Pb2+-bearing graeserite,
 Pb0.14(Fe,Ti)7AsO12+x(OH)2-x, a mineral of the derbylite group Locality:
 Gorb, Binn valley, Western Alps, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              1
_journal_page_last               9
_journal_volume                  78
_journal_year                    1998
_chemical_compound_source
'Gorb, Binn valley, Western Alps, Switzerland'
_chemical_formula_sum            'As Fe4 H O14 Pb0.14 Ti3'
_chemical_name_mineral           Graeserite
_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                 105.165
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.0053
_cell_length_b                   14.272
_cell_length_c                   7.1736
_cell_volume                     494.605
_database_code_amcsd             0015412
_exptl_crystal_density_diffrn    4.673
_cod_original_formula_sum        'Pb.14 (Fe4 Ti3) As O14 H'
_cod_database_code               9012872
Structure cristalline du sulfure mixte d'argent et d'or
Messien, P.; Baiwir, M.; Tavernier, B.; Bulletin de la Societe Royal des Sciences de Liege 35 (1966) 727–733; doi:

data_9012873
_publ_section_title
;
 Structure cristalline du sulfure mixte d'argent et d'or
;
_journal_name_full
'Bulletin de la Societe Royal des Sciences de Liege'
_journal_page_first              727
_journal_page_last               733
_journal_volume                  35
_journal_year                    1966
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag3 Au S2'
_chemical_name_mineral           Uytenbogaardtite
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.72
_cell_length_b                   9.72
_cell_length_c                   9.72
_cell_formula_units_Z            8
_cell_volume                     918.330
_database_code_amcsd             0012143
_exptl_crystal_density_diffrn    8.458
_cod_database_code               9012873
The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen III
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012874
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 77 K
 Note: specimen III
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.612
_cell_length_b                   5.612
_cell_length_c                   5.612
_cell_formula_units_Z            2
_cell_volume                     176.747
_database_code_amcsd             0012168
_diffrn_ambient_temperature      77
_exptl_crystal_density_diffrn    1.606
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012874
The rubidium transition at ~180 K Sample: at T = 90 K Note: specimen III
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012875
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 90 K
 Note: specimen III
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.619
_cell_length_b                   5.619
_cell_length_c                   5.619
_cell_formula_units_Z            2
_cell_volume                     177.410
_database_code_amcsd             0012169
_diffrn_ambient_temperature      90
_exptl_crystal_density_diffrn    1.600
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012875
The rubidium transition at ~180 K Sample: at T = 297 K Note: specimen III lattice parameter for this T is estimated
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012876
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 297 K
 Note: specimen III lattice parameter for this T is estimated
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.700
_cell_length_b                   5.700
_cell_length_c                   5.700
_cell_formula_units_Z            2
_cell_volume                     185.193
_database_code_amcsd             0012170
_diffrn_ambient_temperature      297
_exptl_crystal_density_diffrn    1.533
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012876
The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen IV
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012877
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 77 K
 Note: specimen IV
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.609
_cell_length_b                   5.609
_cell_length_c                   5.609
_cell_formula_units_Z            2
_cell_volume                     176.464
_database_code_amcsd             0012171
_diffrn_ambient_temperature      77
_exptl_crystal_density_diffrn    1.609
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012877
The rubidium transition at ~180 K Sample: at T = 90 K Note: specimen IV
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012878
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 90 K
 Note: specimen IV
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.616
_cell_length_b                   5.616
_cell_length_c                   5.616
_cell_formula_units_Z            2
_cell_volume                     177.126
_database_code_amcsd             0012172
_diffrn_ambient_temperature      90
_exptl_crystal_density_diffrn    1.603
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012878
The rubidium transition at ~180 K Sample: at T = 297 K Note: specimen IV lattice parameter for this T is estimated
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012879
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 297 K
 Note: specimen IV lattice parameter for this T is estimated
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.697
_cell_length_b                   5.697
_cell_length_c                   5.697
_cell_formula_units_Z            2
_cell_volume                     184.901
_database_code_amcsd             0012173
_diffrn_ambient_temperature      297
_exptl_crystal_density_diffrn    1.535
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012879
The rubidium transition at ~180 K Sample: at T = 77 K Note: specimen VI
Kelly, F. M.; Pearson, W. B.; Canadian Journal of Physics 33 (1955) 17–24; doi:10.1139/p55-003

data_9012880
_publ_section_title
;
 The rubidium transition at ~180 K
 Sample: at T = 77 K
 Note: specimen VI
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              17
_journal_page_last               24
_journal_paper_doi               10.1139/p55-003
_journal_volume                  33
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Rb
_chemical_name_mineral           Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.607
_cell_length_b                   5.607
_cell_length_c                   5.607
_cell_formula_units_Z            2
_cell_volume                     176.275
_database_code_amcsd             0012174
_diffrn_ambient_temperature      77
_exptl_crystal_density_diffrn    1.610
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012880
Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane Sample: T = 12 K, C3H8*17D20
Rawn, C. J.; Rondinone, A. J.; Chakoumakos, B. C.; Circone, S.; Stern, L. A.; Kirby, S. H.; Ishii, Y.; Canadian Journal of Physics 81 (2003) 431–438; doi:10.1139/p03-022

data_9012881
_publ_section_title
;Neutron powder diffraction studies as a function of temperature of structure
 II hydrate formed from propane Sample: T = 12 K, C3H8*17D20
;
_journal_name_full               'Canadian Journal of Physics'
_journal_page_first              431
_journal_page_last               438
_journal_paper_doi               10.1139/p03-022
_journal_volume                  81
_journal_year                    2003
_chemical_formula_sum            'C3.024 H8.064 D34 O17'
_chemical_name_common            Clathrat
_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                   17.092
_cell_length_b                   17.092
_cell_length_c                   17.092
_cell_formula_units_Z            8
_cell_volume                     4993.196
_diffrn_ambient_temperature      12
_exptl_crystal_density_diffrn    1.024
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'C3.024 H8.064 O17 D34'
_cod_database_code               9012881
_database_code_amcsd 0012175
Die kristallstrukturen von Bi2Pt und Sn2Pt
Wallbaum, H. J.; Zeitschrift fur Metallkunde 35 (1943) 200–201; doi:

data_9012882
_publ_section_title
;
 Die kristallstrukturen von Bi2Pt und Sn2Pt
;
_journal_name_full               'Zeitschrift fur Metallkunde'
_journal_page_first              200
_journal_page_last               201
_journal_volume                  35
_journal_year                    1943
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pt'
_chemical_name_mineral           Insizwaite
_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                   6.683
_cell_length_b                   6.683
_cell_length_c                   6.683
_cell_formula_units_Z            4
_cell_volume                     298.479
_database_code_amcsd             0015828
_exptl_crystal_density_diffrn    13.642
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Pt Bi2'
_cod_database_code               9012882
Die kristallstrukturen von Bi2Pt und Sn2Pt
Wallbaum, H. J.; Zeitschrift fur Metallkunde 35 (1943) 200–201; doi:

data_9012883
_publ_section_title
;
 Die kristallstrukturen von Bi2Pt und Sn2Pt
;
_journal_name_full               'Zeitschrift fur Metallkunde'
_journal_page_first              200
_journal_page_last               201
_journal_volume                  35
_journal_year                    1943
_chemical_formula_sum            'Pt Sn2'
_chemical_name_mineral           Sn2Pt
_space_group_IT_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_length_a                   6.413
_cell_length_b                   6.413
_cell_length_c                   6.413
_cell_formula_units_Z            4
_cell_volume                     263.745
_database_code_amcsd             0015829
_exptl_crystal_density_diffrn    10.892
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012883
_amcsd_formula_title             Sn2Pt
Nachweis einer neuen phase bei der funkenerosiven behandlung von kobalt
Krainer, E.; Robitsch, J.; Zeitschrift fur Metallkunde 61 (1970) 350–354; doi:

data_9012884
_publ_section_title
;
 Nachweis einer neuen phase bei der funkenerosiven behandlung von kobalt
;
_journal_name_full               'Zeitschrift fur Metallkunde'
_journal_page_first              350
_journal_page_last               354
_journal_volume                  61
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            Co
_chemical_name_mineral           Cobalt
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.288
_cell_length_b                   8.288
_cell_length_c                   10.542
_cell_formula_units_Z            46
_cell_volume                     627.124
_database_code_amcsd             0015831
_exptl_crystal_density_diffrn    7.178
_cod_database_code               9012884
The Structure of Heyrovskyite (6PbS•Bi~2~S~3~)
Takeuchi, Yoshio; Takagi, Junkou; Proceedings of the Japan Academy 50 (1974) 76–79; doi:10.2183/pjab1945.50.76

data_9012885
_publ_section_title
;
 The Structure of Heyrovskyite (6PbS&#x2022;Bi~2~S~3~)
;
_journal_coden_ASTM              PJACAW
_journal_issue                   1
_journal_name_full               'Proceedings of the Japan Academy'
_journal_page_first              76
_journal_page_last               79
_journal_paper_doi               10.2183/pjab1945.50.76
_journal_volume                  50
_journal_year                    1974
_chemical_compound_source        'Yakuki mine, Fukushima Prefecture, Japan'
_chemical_formula_sum            'Bi2 Pb6 S9'
_chemical_name_mineral           Heyrovskyite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.712
_cell_length_b                   31.210
_cell_length_c                   4.131
_cell_formula_units_Z            4
_cell_volume                     1767.868
_database_code_amcsd             0015328
_exptl_crystal_density_diffrn    7.326
_cod_original_formula_sum        'Pb6 Bi2 S9'
_cod_database_code               9012885
Crystal structure of dehydroxylated 2M1 sericite and its relationship with mixed-layer mica/smectite Sample: heated
Tomita, K.; Shiraki, K.; Kawano, M.; Clay Science 10 (1998) 423–441; doi:

data_9012886
_publ_section_title
;
 Crystal structure of dehydroxylated 2M1 sericite and its relationship with
 mixed-layer mica/smectite
 Sample: heated
;
_journal_name_full               'Clay Science'
_journal_page_first              423
_journal_page_last               441
_journal_volume                  10
_journal_year                    1998
_chemical_compound_source        'Goto mine, Nagasaki Prefecture, Japan'
_chemical_formula_sum
'Al2.726 Ca0.011 Fe0.03 K0.776 Mg0.02 Na0.181 O11 Si3.15 Ti0.02'
_chemical_name_mineral           Muscovite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1 1 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.8338
_cell_angle_gamma                90
_cell_length_a                   5.2234
_cell_length_b                   9.1790
_cell_length_c                   20.2353
_cell_formula_units_Z            4
_cell_volume                     965.169
_database_code_amcsd             0012228
_exptl_crystal_density_diffrn    2.588
_cod_original_sg_symbol_H-M      'C 1 1 1'
_cod_original_formula_sum
'K.776 Na.181 Ca.011 Al2.726 Fe.03 Mg.02 Si3.15 Ti.02 O11'
_cod_database_code               9012886
Crystal structure of dehydroxylated 2M1 sericite and its relationship with mixed-layer mica/smectite Sample: unheated
Tomita, K.; Shiraki, K.; Kawano, M.; Clay Science 10 (1998) 423–441; doi:

data_9012887
_publ_section_title
;
 Crystal structure of dehydroxylated 2M1 sericite and its relationship with
 mixed-layer mica/smectite
 Sample: unheated
;
_journal_name_full               'Clay Science'
_journal_page_first              423
_journal_page_last               441
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum
'Al2.752 Ca0.01 Fe0.03 H2 K0.727 Mg0.022 Na0.17 O12 Si3.128 Ti0.02'
_chemical_name_mineral           Muscovite
_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                 95.773
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1909
_cell_length_b                   9.0048
_cell_length_c                   20.1170
_cell_volume                     935.560
_database_code_amcsd             0012229
_exptl_crystal_density_diffrn    2.783
_cod_original_formula_sum
'K.727 Na.17 Ca.01 Al2.752 Fe.03 Mg.022 Si3.128 Ti.02 O12 H2'
_cod_database_code               9012887
Etude structurale du compose As2O3, 1 SO3
Mercier, R.; Revue de Chimie Minerale 12 (1975) 508–517; doi:

data_9012888
_publ_section_title
;
 Etude structurale du compose As2O3, 1 SO3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              508
_journal_page_last               517
_journal_volume                  12
_journal_year                    1975
_chemical_formula_structural     As2O3*SO3
_chemical_formula_sum            'As2 O6 S'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.655
_cell_length_b                   11.54
_cell_length_c                   4.795
_cell_formula_units_Z            2
_cell_volume                     257.581
_database_code_amcsd             0015375
_exptl_crystal_density_diffrn    3.583
_cod_original_formula_sum        'As2 S O6'
_cod_database_code               9012888
_amcsd_formula_title             As2O3*SO3
The crystal structure of pyroxferroite from Mare Tranquillitatis
Burnham, C. W.; Proceedings of the Second Lunar Science Conference 1 (1971) 47–57; doi:

data_9012889
_publ_section_title
;
 The crystal structure of pyroxferroite from Mare Tranquillitatis
;
_journal_name_full
'Proceedings of the Second Lunar Science Conference'
_journal_page_first              47
_journal_page_last               57
_journal_volume                  1
_journal_year                    1971
_chemical_compound_source
'Apollo 11 microgabbro sample 10047, Mare Tranquillitatis, Moon'
_chemical_formula_sum            'Ca0.94 Fe6.06 O21 Si7'
_chemical_name_mineral           Pyroxferroite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.267
_cell_angle_beta                 82.684
_cell_angle_gamma                94.576
_cell_length_a                   6.6213
_cell_length_b                   7.5506
_cell_length_c                   17.3806
_cell_formula_units_Z            2
_cell_volume                     785.349
_database_code_amcsd             0015363
_exptl_crystal_density_diffrn    3.843
_cod_original_formula_sum        'Fe6.06 Ca.94 Si7 O21'
_cod_database_code               9012889