LMucko/crystallography-open-database huggingface dataset:
Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium
Belougne, P.; Chezeau, N.; Lapasset, J.; Acta Crystallographica, Section B 32 (1976) 3087–3088; doi:10.1107/S056774087600959X

data_9015641
_publ_section_title
;
 Nouvel affinement de la structure cristalline du thiomolybdate d'ammonium
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3087
_journal_page_last               3088
_journal_paper_doi               10.1107/S056774087600959X
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Mo N2 S4'
_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                   9.57
_cell_length_b                   6.99
_cell_length_c                   12.20
_cell_formula_units_Z            4
_cell_volume                     816.110
_database_code_amcsd             0009578
_exptl_crystal_density_diffrn    2.053
_cod_duplicate_entry             1004019
_cod_original_formula_sum        'Mo S4 N2'
_cod_database_code               9015641
_amcsd_formula_title             'H8 Mo N2 S4'
Crystal and absolute structure of enargite from Bor (Serbia)
Karanovic, L.; Cvetkovic, L.; Poleti, D.; Balic-Zunic T; Makovicky, E.; Neues Jahrbuch fur Mineralogie, Monatshefte 2002 (2002) 241–253; doi:10.1127/0028-3649/2002/2002-0241

data_9015642
_publ_section_title
;
 Crystal and absolute structure of enargite from Bor (Serbia)
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              241
_journal_page_last               253
_journal_paper_doi               10.1127/0028-3649/2002/2002-0241
_journal_volume                  2002
_journal_year                    2002
_chemical_compound_source        'Bor, Serbia'
_chemical_formula_sum            'As Cu3 S4'
_chemical_name_mineral           Enargite
_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                   7.4127
_cell_length_b                   6.4404
_cell_length_c                   6.1577
_cell_formula_units_Z            2
_cell_volume                     293.973
_database_code_amcsd             0014921
_exptl_crystal_density_diffrn    4.449
_cod_original_formula_sum        'Cu3 As S4'
_cod_database_code               9015642
Structures of the ZrO2 polymorphs at room temperature by high-resolution neutron powder diffraction Note: model 1, O atom not displaced
Howard, C. J.; Hill, R. J.; Reichert, B. E.; Acta Crystallographica, Section B 44 (1988) 116–120; doi:10.1107/S0108768187010279

data_9015643
_publ_section_title
;
 Structures of the ZrO2 polymorphs at room temperature
 by high-resolution neutron powder diffraction
 Note: model 1, O atom not displaced
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              116
_journal_page_last               120
_journal_paper_doi               10.1107/S0108768187010279
_journal_volume                  44
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg0.096 O1.904 Zr0.904'
_chemical_name_mineral           Tazheranite
_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                   5.0858
_cell_length_b                   5.0858
_cell_length_c                   5.0858
_cell_formula_units_Z            4
_cell_volume                     131.546
_database_code_amcsd             0019231
_exptl_crystal_density_diffrn    5.820
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Zr.904 Mg.096) O1.904'
_cod_database_code               9015643
Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario _cod_database_code 1010347
Ferrari, A.; Colla, C.; Gazzetta Chimica Italiana 63 (1933) 507–513; doi:

data_9015644
_publ_section_title
;
 Iridionitriti di ammonio, potassio, rubidio, cesio, tallio e bario
 _cod_database_code 1010347
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              507
_journal_page_last               513
_journal_volume                  63
_journal_year                    1933
_chemical_formula_sum            'Ba1.5 Ir N6 O12'
_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                   10.6
_cell_length_b                   10.6
_cell_length_c                   10.6
_cell_formula_units_Z            4
_cell_volume                     1191.016
_database_code_amcsd             0017273
_exptl_crystal_density_diffrn    3.760
_cod_duplicate_entry             1010347
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015644
_amcsd_formula_title             'Ba3 Ir2 N12 O24'
Proprietes d'echanges d'ions de quelques oxydes ternaires de type pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 _cod_database_code 1001164
Hervieu, M.; Michel, C.; Raveau, B.; Bulletin de la Societe Chimique de France 1971 (1971) 3939–3943; doi:

data_9015645
_publ_section_title
;
 Proprietes d'echanges d'ions de quelques oxydes ternaires de type
 pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6
 _cod_database_code 1001164
;
_journal_name_full               'Bulletin de la Societe Chimique de France'
_journal_page_first              3939
_journal_page_last               3943
_journal_volume                  1971
_journal_year                    1971
_chemical_formula_sum            'O7 Ta1.4 W0.6'
_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                   10.485
_cell_length_b                   10.485
_cell_length_c                   10.485
_cell_formula_units_Z            8
_cell_volume                     1152.671
_database_code_amcsd             0012102
_exptl_crystal_density_diffrn    5.482
_cod_duplicate_entry             1001164
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ta1.4 W.6) O7'
_cod_database_code               9015645
_amcsd_formula_title             'H3.4 O7 Ta1.4 W0.6'
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T5
Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.; American Mineralogist 89 (2004) 447–454; doi:

data_9015646
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T5
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               454
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        'Koralpe, Austria'
_chemical_formula_sum
'Al7.452 B3.336 Be0.012 Ca0.145 Fe1.203 H6.19 Li0.189 Mg0.087 Mn0.024 Na0.632 O31 Si5.526 Ti0.027'
_chemical_name_mineral           Olenite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.9013
_cell_length_b                   15.9013
_cell_length_c                   7.1213
_cell_volume                     1559.392
_database_code_amcsd             0003449
_exptl_crystal_density_diffrn    3.157
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.632 Ca.145 Al7.452 Fe1.203 Li.189 Mg.087 Ti.027 Mn.024 Si5.526 Be.012 B3.336 O31 H6.19'
_cod_database_code               9015646
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 11,100 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_9015647
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 11,100 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            'Al1.46 Fe0.539 Mg1.001 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                   8.1687
_cell_length_b                   8.1687
_cell_length_c                   8.1687
_cell_formula_units_Z            8
_cell_volume                     545.078
_database_code_amcsd             0019316
_exptl_crystal_density_diffrn    3.846
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.46 Mg1.001 Fe.539) O4'
_cod_database_code               9015647
Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (NH4)3 (V F6), Rb2 (Cr F5 (H2 O)) _cod_database_code 1010138
Passerini, L.; Pirani, R.; Gazzetta Chimica Italiana 62 (1932) 289–295; doi:

data_9015648
_publ_section_title
;
 Struttura dei sali complessi contenenti atomi o gruppi coordinati di
 specie diversa.- II. Complessi a numero di coordinazione 6.I sali.
 (NH4)3 (V F6), Rb2 (Cr F5 (H2 O))
 _cod_database_code 1010138
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              289
_journal_page_last               295
_journal_volume                  62
_journal_year                    1932
_chemical_formula_sum            'Cr F4.98 O1.02 Rb2'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.38
_cell_length_b                   8.38
_cell_length_c                   8.38
_cell_formula_units_Z            4
_cell_volume                     588.480
_database_code_amcsd             0017068
_exptl_crystal_density_diffrn    3.768
_cod_duplicate_entry             1010138
_cod_original_cell_volume        588.481
_cod_original_sg_symbol_H-M      'F m 3'
_cod_original_formula_sum        'Rb2 Cr (F4.98 O1.02)'
_cod_database_code               9015648
_amcsd_formula_title             'Cr F5 H2 O Rb2'
Crystal chemistry of RE(CO3)OH
Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.; Zeitschrift fur Kristallographie 222 (2007) 326–334; doi:

data_9015649
_publ_section_title
;
 Crystal chemistry of RE(CO3)OH
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              326
_journal_page_last               334
_journal_volume                  222
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H Nd O4'
_chemical_name_mineral           Kozoite-(Nd)
_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                   7.2333
_cell_length_b                   4.9640
_cell_length_c                   8.4908
_cell_volume                     304.872
_database_code_amcsd             0019379
_exptl_crystal_density_diffrn    4.820
_cod_original_formula_sum        'Nd C (O4 H)'
_cod_database_code               9015649
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P10, P = 30.6 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015650
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P10, P = 30.6 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.539
_cell_length_b                   4.539
_cell_length_c                   13.80
_cell_formula_units_Z            6
_cell_volume                     246.224
_database_code_amcsd             0017571
_exptl_crystal_density_diffrn    4.688
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015650
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from single-crystal X-ray diffraction Note: P = 0.0 GPa
Zhao, J.; Ross, N. L.; Angel, R. J.; Physics and Chemistry of Minerals 31 (2004) 299–305; doi:10.1007/s00269-004-0391-1

data_9015651
_publ_section_title
;
 Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from
 single-crystal X-ray diffraction
 Note: P = 0.0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              299
_journal_page_last               305
_journal_paper_doi               10.1007/s00269-004-0391-1
_journal_volume                  31
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O3 Sn'
_chemical_name_mineral           Megawite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5142
_cell_length_b                   5.6634
_cell_length_c                   7.88162
_cell_formula_units_Z            4
_cell_volume                     246.136
_database_code_amcsd             0018605
_exptl_crystal_density_diffrn    5.580
_cod_original_formula_sum        'Ca Sn O3'
_cod_database_code               9015651
Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo- hexaphosphate tritellurate tetrahydrate _cod_database_code 1007249
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 47 (1991) 1576–1579; doi:10.1107/S0108270191001403

data_9015652
_publ_section_title
;
 Crystal chemistry of cyclo-hexaphosphates. XVI.Structures of potassium
 cyclo-hexaphosphate ditellurate trihydrate and rubidium cyclo-
 hexaphosphate tritellurate tetrahydrate
 _cod_database_code 1007249
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1576
_journal_page_last               1579
_journal_paper_doi               10.1107/S0108270191001403
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'H12 K6 O33 P6 Te2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.084
_cell_length_b                   13.084
_cell_length_c                   34.799990000
_cell_formula_units_Z            6
_cell_volume                     5159.300
_database_code_amcsd             0015931
_exptl_crystal_density_diffrn    2.348
_cod_duplicate_entry             1007249
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Te2 K6 P6 O33 H12'
_cod_database_code               9015652
_amcsd_formula_title             'H18 K6 O33 P6 Te2'
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 24.1 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_9015653
_publ_section_title
;
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 24.1 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                   4.8152
_cell_length_b                   4.8152
_cell_length_c                   13.242
_cell_volume                     265.897
_exptl_crystal_density_diffrn    5.695
_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               9015653
High-pressure behavior of zoisite Note: P = 7.766 GPa
Alvaro, M.; Angel, R. J.; Camara, F.; American Mineralogist 97 (2012) 1165–1176; doi:10.2138/am.2012.4014

data_9015654
_publ_section_title
;
 High-pressure behavior of zoisite
 Note: P = 7.766 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1165
_journal_page_last               1176
_journal_paper_doi               10.2138/am.2012.4014
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Merelani Hills, Tanzania'
_chemical_formula_sum            'Al3 Ca2 H O13 Si3'
_chemical_name_mineral           Zoisite
_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                   16.0271
_cell_length_b                   5.4473
_cell_length_c                   9.8119
_cell_volume                     856.622
_database_code_amcsd             0019071
_exptl_crystal_density_diffrn    3.523
_cod_original_formula_sum        'Si3 Al3 Ca2 O13 H'
_cod_database_code               9015654
Structural refinement of hydrous and anhydrous synthetic beryl, Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18 Note: hydrous emerald
Gibbs, G. V.; Breck, D. W.; Meagher, E. P.; Lithos 1 (1968) 275–285; doi:10.1016/S0024-4937(68)80044-1

data_9015655
_publ_section_title
;
 Structural refinement of hydrous and anhydrous synthetic beryl,
 Al2(Be3Si6)O18 and emerald, Al1.9Cr0.1(Be3Si6)O18
 Note: hydrous emerald
;
_journal_name_full               Lithos
_journal_page_first              275
_journal_page_last               285
_journal_paper_doi               10.1016/S0024-4937(68)80044-1
_journal_volume                  1
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al1.9 Be3 Cr0.1 H2 O19 Si6'
_chemical_name_mineral           Beryl
_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                   9.214
_cell_length_b                   9.214
_cell_length_c                   9.218
_cell_volume                     677.741
_database_code_amcsd             0019469
_exptl_crystal_density_diffrn    2.734
_cod_original_formula_sum        '(Al1.9 Cr.1) Be3 Si6 O19 H2'
_cod_database_code               9015655
Structure d'un Decavanadate d'Hexasodium Hydrate
Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 36 (1980) 680–682; doi:10.1107/S0567740880004116

data_9015656
_publ_section_title
;
 Structure d'un Decavanadate d'Hexasodium Hydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              680
_journal_page_last               682
_journal_paper_doi               10.1107/S0567740880004116
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Na3 O23 V5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.23
_cell_angle_beta                 99.44
_cell_angle_gamma                105.48
_cell_length_a                   11.65
_cell_length_b                   10.85
_cell_length_c                   8.56
_cell_formula_units_Z            2
_cell_volume                     995.730
_database_code_amcsd             0009705
_exptl_crystal_density_diffrn    2.307
_cod_duplicate_entry             1007044
_cod_original_formula_sum        'V5 Na3 O23'
_cod_database_code               9015656
_amcsd_formula_title             'H36 Na6 O46 V10'