LMucko/crystallography-open-database huggingface dataset:
Structure cristalline de Ag4 H4 As4 O14: Un nouvel exemple d'anion As4O14 _cod_database_code 1008840
Boudjada, A.; Averbuch-Pouchot M; Journal of Solid State Chemistry 51 (1984) 76–82; doi:10.1016/0022-4596(84)90317-7

data_9014247
_publ_section_title
;
 Structure cristalline de Ag4 H4 As4 O14: Un nouvel exemple d'anion As4O14
 _cod_database_code 1008840
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              76
_journal_page_last               82
_journal_paper_doi               10.1016/0022-4596(84)90317-7
_journal_volume                  51
_journal_year                    1984
_chemical_formula_sum            'Ag2 As2 O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.30
_cell_angle_gamma                90
_cell_length_a                   7.839
_cell_length_b                   12.428
_cell_length_c                   6.556
_cell_formula_units_Z            4
_cell_volume                     602.811
_database_code_amcsd             0016708
_exptl_crystal_density_diffrn    5.262
_cod_duplicate_entry             1008840
_cod_database_code               9014247
_amcsd_formula_title             'Ag4 As4 H4 O14'
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010586
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9014248
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010586
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'Mn2 O3'
_chemical_name_mineral           Bixbyite
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.41
_cell_length_b                   9.41
_cell_length_c                   9.41
_cell_formula_units_Z            16
_cell_volume                     833.238
_database_code_amcsd             0017467
_exptl_crystal_density_diffrn    5.034
_cod_duplicate_entry             1010586
_cod_database_code               9014248
Neutron diffraction determination of the crystal structure of ammonium bromide in four phases _cod_database_code 1008920
Levy, H.; Peterson, S.; Journal of the American Chemical Society 75 (1953) 1536–1542; doi:10.1021/ja01103a006

data_9014249
_publ_section_title
;
 Neutron diffraction determination of the crystal structure of ammonium
 bromide in four phases
 _cod_database_code 1008920
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1536
_journal_page_last               1542
_journal_paper_doi               10.1021/ja01103a006
_journal_volume                  75
_journal_year                    1953
_chemical_formula_sum            'Br D3.998 N'
_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                   6.9
_cell_length_b                   6.9
_cell_length_c                   6.9
_cell_formula_units_Z            4
_cell_volume                     328.509
_database_code_amcsd             0016787
_exptl_crystal_density_diffrn    2.062
_cod_duplicate_entry             1008920
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'N Br D3.998'
_cod_database_code               9014249
_amcsd_formula_title             'Br D4 N'
Crystal chemistry and electrical conductivity of boulangerite, dadsonite and iodine-substituted pillaite grown by chemical vapor transport
Kaden, R.; Wagner, G.; Bente, K.; The Canadian Mineralogist 50 (2012) 219–233; doi:10.3749/canmin.50.2.219

data_9014250
_publ_section_title
;
 Crystal chemistry and electrical conductivity of boulangerite, dadsonite and
 iodine-substituted pillaite grown by chemical vapor transport
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              219
_journal_page_last               233
_journal_paper_doi               10.3749/canmin.50.2.219
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Pb10.159 S22 Sb7.841'
_chemical_name_mineral           Boulangerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.554
_cell_length_b                   23.454
_cell_length_c                   8.079
_cell_volume                     4012.348
_database_code_amcsd             0019740
_exptl_crystal_density_diffrn    6.233
_cod_original_cell_volume        4012.349
_cod_original_formula_sum        'Pb10.159 Sb7.841 S22'
_cod_database_code               9014250
Highly ordered distribution of the interpolated univalent cations in monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure _cod_database_code 1001728
Guesdon, A.; Leclaire, A.; Borel, M.; Raveau, B.; European Journal of Solid State and Inorganic Chemistry 33 (1996) 385–396; doi:

data_9014251
_publ_section_title
;
 Highly ordered distribution of the interpolated univalent cations in
 monophosphates with the alpha-(K2 Mo2 O3 (P O4)2) structure
 _cod_database_code 1001728
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              385
_journal_page_last               396
_journal_volume                  33
_journal_year                    1996
_chemical_formula_sum            'Cs1.48 K2.52 Mo4 O22 P4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.25
_cell_angle_gamma                90
_cell_length_a                   10.080
_cell_length_b                   10.146
_cell_length_c                   9.830
_cell_formula_units_Z            2
_cell_volume                     989.286
_database_code_amcsd             0012603
_exptl_crystal_density_diffrn    3.877
_cod_duplicate_entry             1001728
_cod_original_formula_sum        'Mo4 P4 K2.52 Cs1.48 O22'
_cod_database_code               9014251
_amcsd_formula_title             'Cs0.74 K1.26 Mo2 O11 P2'
Crystal structure and bonding in the new mineral AsSbO3
Origlieri, M. J.; Downs, R. T.; Carducci, M. D.; Rosso, K. M.; Gibbs, G. V.; General Meeting of the International Mineralogical Association 19 (2006) 142–142; doi:

data_9014252
_publ_section_title
;
 Crystal structure and bonding in the new mineral AsSbO3
;
_journal_name_full
'General Meeting of the International Mineralogical Association'
_journal_page_first              142
_journal_page_last               142
_journal_volume                  19
_journal_year                    2006
_chemical_compound_source        'Jachymov, Erzgebirge, Czech Republic'
_chemical_formula_sum            'As2 O3'
_chemical_name_mineral           Claudetite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.329
_cell_angle_gamma                90
_cell_length_a                   4.5460
_cell_length_b                   13.0012
_cell_length_c                   5.3420
_cell_formula_units_Z            4
_cell_volume                     314.830
_database_code_amcsd             0019397
_exptl_crystal_density_diffrn    4.174
_cod_database_code               9014252
Crystal structures of two new types of cyclo-tetraphosphates: tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and calcium disodium cyclo-tetraphosphate 5.5-hydrate _cod_database_code 1007178
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 44 (1988) 212–216; doi:10.1107/S0108270187010175

data_9014253
_publ_section_title
;
 Crystal structures of two new types of cyclo-tetraphosphates:
 tetracalcium tetrapotassium tris(cyclo-tetraphosphate) octahydrate and
 calcium disodium cyclo-tetraphosphate 5.5-hydrate
 _cod_database_code 1007178
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              212
_journal_page_last               216
_journal_paper_doi               10.1107/S0108270187010175
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Ca H4 K O11 P3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.31
_cell_angle_gamma                90
_cell_length_a                   20.38
_cell_length_b                   12.683
_cell_length_c                   7.830
_cell_formula_units_Z            8
_cell_volume                     2023.748
_database_code_amcsd             0010061
_exptl_crystal_density_diffrn    2.311
_cod_duplicate_entry             1007178
_cod_original_formula_sum        'Ca K P3 O11 H4'
_cod_database_code               9014253
_amcsd_formula_title             'Ca4 H16 K4 O44 P12'
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 1 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9014254
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 1 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.609 Fe0.389 Mg1.002 O4'
_chemical_name_mineral           Spinel
_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                   8.1469
_cell_length_b                   8.1469
_cell_length_c                   8.1469
_cell_formula_units_Z            8
_cell_volume                     540.726
_database_code_amcsd             0019298
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg1.002 Fe.389) O4'
_cod_database_code               9014254
Refinement of the alum structures. III. X-ray study of the a alums, K, Rb and NH4Al(SO4)2*12H2O
Larson, A. C.; Cromer, D. T.; Acta Crystallographica 22 (1967) 793–800; doi:10.1107/S0365110X67001586

data_9014255
_publ_section_title
;
 Refinement of the alum structures. III. X-ray study of the a alums,
 K, Rb and NH4Al(SO4)2*12H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              793
_journal_page_last               800
_journal_paper_doi               10.1107/S0365110X67001586
_journal_volume                  22
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al H24 K1.3 O20 S2'
_chemical_name_mineral           Alum-(K)
_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_formula_units_Z            4
_cell_length_a                   12.157
_cell_length_b                   12.157
_cell_length_c                   12.157
_cell_volume                     1796.715
_database_code_amcsd             0019046
_exptl_crystal_density_diffrn    1.797
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'K1.3 Al S2 O20 H24'
_cod_database_code               9014255
The atomic structure of deuterated boyleite ZnSO4*4D2O, ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
Anderson, J. L.; Peterson, R. C.; Swainson, I.; American Mineralogist 97 (2012) 1905–1914; doi:10.2138/am.2012.4121

data_9014256
_publ_section_title
;
 The atomic structure of deuterated boyleite ZnSO4*4D2O,
 ilesite MnSO4*4D2O, and bianchite ZnSO4*6D2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1905
_journal_page_last               1914
_journal_paper_doi               10.2138/am.2012.4121
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O8 S Zn'
_chemical_name_mineral           Boyleite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.688
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.9144
_cell_length_b                   13.5665
_cell_length_c                   7.8924
_cell_volume                     633.222
_database_code_amcsd             0019607
_exptl_crystal_density_diffrn    2.449
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'Zn S O8 H8'
_cod_database_code               9014256
Polymorphism of CsAlF4. Synthesis and structure of two new crystalline forms _cod_database_code 1000106
Bentrup, U.; Le Bail, A.; Duroy, H.; Fourquet, J.; European Journal of Solid State and Inorganic Chemistry 29 (1992) 371–381; doi:

data_9014257
_publ_section_title
;
 Polymorphism of CsAlF4. Synthesis and structure of two new crystalline forms
 _cod_database_code 1000106
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              371
_journal_page_last               381
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'Al5 Cs5 F20'
_space_group_IT_number           120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.8101
_cell_length_b                   11.8101
_cell_length_c                   13.3741
_cell_formula_units_Z            4
_cell_volume                     1865.399
_database_code_amcsd             0012552
_exptl_crystal_density_diffrn    4.200
_cod_duplicate_entry             1000106
_cod_original_formula_sum        'Cs5 Al5 F20'
_cod_database_code               9014257
_amcsd_formula_title             CsAlF4
Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France: description and crystal structure T = 298 K
Kampf, A. R.; Mills, S. J.; Rossman, G. R.; Steele, I. M.; Pluth, J. J.; Favreau, G.; European Journal of Mineralogy 23 (2011) 269–277; doi:10.1127/0935-1221/2011/0023-2093

data_9014258
_publ_section_title
;
 Afmite, Al3(OH)4(H2O)3(PO4)(PO3OH)*H2O,a new mineral from Fumade, Tarn, France:
 description and crystal structure
 T = 298 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              269
_journal_page_last               277
_journal_paper_doi               10.1127/0935-1221/2011/0023-2093
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source        'Fumade, Tarn, France'
_chemical_formula_sum            'Al3 H13 O16 P2'
_chemical_name_mineral           Afmite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.773
_cell_angle_beta                 91.141
_cell_angle_gamma                115.58
_cell_formula_units_Z            2
_cell_length_a                   7.386
_cell_length_b                   7.716
_cell_length_c                   11.345
_cell_volume                     571.551
_database_code_amcsd             0018452
_exptl_crystal_density_diffrn    2.394
_cod_original_formula_sum        'Al3 P2 O16 H13'
_cod_database_code               9014258
Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S
Gibbs, G. V.; Boisen, M. B.; Downs, R. T.; Lasaga, A. C.; Materials Research Society Symposia Proceedings 121 (1988) 155–165; doi:10.1557/PROC-121-155

data_9014259
_publ_section_title
;
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
 and cristobalite structure types, T = C, Si, Ge and X = O, S
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              155
_journal_page_last               165
_journal_paper_doi               10.1557/PROC-121-155
_journal_volume                  121
_journal_year                    1988
_chemical_compound_source        theoretical
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.973
_cell_length_b                   4.973
_cell_length_c                   6.627
_cell_formula_units_Z            4
_cell_volume                     163.891
_database_code_amcsd             0018754
_exptl_crystal_density_diffrn    2.435
_cod_original_formula_sum        'Si O2'
_cod_struct_determination_method theoretical
_cod_database_code               9014259
Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K determined by time-of-flight neutron powder diffraction Note: T = 260 K
Wood, I. G.; Vocadlo, L.; Knight, K. S.; Dobson, D. P.; Marshall, W. G.; Price, G. D.; Brodholt, J.; Journal of Applied Crystallography 37 (2004) 82–90; doi:10.1107/S0021889803024695

data_9014260
_publ_section_title
;
 Thermal expansion and crystal structure of cementite, Fe3C, between 4 and 600 K
 determined by time-of-flight neutron powder diffraction
 Note: T = 260 K
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              82
_journal_page_last               90
_journal_paper_doi               10.1107/S0021889803024695
_journal_volume                  37
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_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_formula_units_Z            4
_cell_length_a                   5.082
_cell_length_b                   6.750
_cell_length_c                   4.514
_cell_measurement_temperature    260
_cell_volume                     154.846
_database_code_amcsd             0019111
_diffrn_ambient_temperature      260
_exptl_crystal_density_diffrn    7.702
_cod_duplicate_entry             2300074
_cod_depositor_comments
;
 Adding the _cell_measurement_temperature and _diffrn_ambient_temperature
 data items after consulting the original publication.

 Antanas Vaitkus,
 2017-08-17

 Adding the _cell_formula_units_Z data item after consulting the original
 publication.

 Antanas Vaitkus,
 2017-08-17
;
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9014260
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 39.7 GPa
Kantor, A.; Kantor, I.; Merlini, M.; Glazyrin, K.; Prescher, C.; Hanfland, M.; Dubrovinsky, L.; American Mineralogist 97 (2012) 1764–1770; doi:10.2138/am.2012.4103

data_9014261
_publ_section_title
;
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 39.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1764
_journal_page_last               1770
_journal_paper_doi               10.2138/am.2012.4103
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.737
_cell_length_b                   4.737
_cell_length_c                   13.071
_cell_volume                     254.007
_exptl_crystal_density_diffrn    5.962
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item and updating the space group
 information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9014261
Contribution a l'etude des phosphates ammoniaco-metalliques monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium monohydrate: Co N H4 P O4, H2 O _cod_database_code 1007254
Tranqui, D.; Durif, A.; Guitel, J.; Averbuch-Pouchot M; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 91 (1968) 10–12; doi:

data_9014262
_publ_section_title
;
 Contribution a l'etude des phosphates ammoniaco-metalliques
 monohydrates: II. Structure cristalline du phosphate de cobalt-ammonium
 monohydrate: Co N H4 P O4, H2 O
 _cod_database_code 1007254
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              10
_journal_page_last               12
_journal_volume                  91
_journal_year                    1968
_chemical_formula_sum            'Co N O5 P'
_space_group_IT_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_length_a                   5.55
_cell_length_b                   8.85
_cell_length_c                   4.805
_cell_formula_units_Z            2
_cell_volume                     236.010
_database_code_amcsd             0015935
_exptl_crystal_density_diffrn    2.588
_cod_duplicate_entry             1007254
_cod_original_formula_sum        'Co P O5 N'
_cod_database_code               9014262
_amcsd_formula_title             'Co H6 N O5 P'