LMucko/crystallography-open-database huggingface dataset:
Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the Upper Chegem volcanic structure, Kabardino-Balkaria, Northern Caucasus, Russia
Galuskina, I. O.; Galuskin, E. V.; Armbruster, T.; Lazic, B.; Dzierzanowski, P.; Gazeev, V. M.; Prusik, K.; Pertsev, N. N.; Winiarski, A.; Zadov, A. E.; Wrzalik, R.; Gurbanov, A. G.; American Mineralogist 95 (2010) 959–967; doi:10.2138/am.2010.3458

data_9016320
_publ_section_title
;
 Bitikleite-(SnAl) and bitikleite-(ZrFe): New garnets from xenoliths of the
 Upper Chegem volcanic structure, Kabardino-Balkaria, Northern Caucasus, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              959
_journal_page_last               967
_journal_paper_doi               10.2138/am.2010.3458
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Kabardino-Balkaria, Northern Caucasus, Russia'
_chemical_formula_sum            'Al1.614 Ca3 Fe1.386 O12 Sn1.362 Ti0.638'
_chemical_name_mineral           Bitikleite-(SnAl)
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5240
_cell_length_b                   12.5240
_cell_length_c                   12.5240
_cell_formula_units_Z            8
_cell_volume                     1964.397
_database_code_amcsd             0005051
_exptl_crystal_density_diffrn    4.229
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 (Sn1.362 Ti.638) (Fe1.386 Al1.614) O12'
_cod_database_code               9016320
Crystal structure and proton conductivity of N H4 H2 (I O3)3 and K H2 (I O3)3 _cod_database_code 1008359
Bordet, P.; Boucherle, J.; Santoro, A.; Marezio, M.; Solid State Ionics 21 (1986) 243–254; doi:10.1016/0167-2738(86)90079-2

data_9016321
_publ_section_title
;
 Crystal structure and proton conductivity of N H4 H2 (I O3)3
 and K H2 (I O3)3
 _cod_database_code 1008359
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              243
_journal_page_last               254
_journal_paper_doi               10.1016/0167-2738(86)90079-2
_journal_volume                  21
_journal_year                    1986
_chemical_formula_sum            'I3 K O9'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                66.08
_cell_angle_beta                 60.16
_cell_angle_gamma                71.06
_cell_length_a                   8.266
_cell_length_b                   8.200
_cell_length_c                   8.180
_cell_formula_units_Z            2
_cell_volume                     434.327
_database_code_amcsd             0016270
_exptl_crystal_density_diffrn    4.311
_cod_duplicate_entry             1008359
_cod_original_formula_sum        'I3 O9 K'
_cod_database_code               9016321
_amcsd_formula_title             'H2 I3 K O9'
Structure cristalline du monophosphate de zinc-potassium: Zn2KH(PO4)2(H2O)2.5
Tordjman, I.; Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C.; Acta Crystallographica, Section B 31 (1975) 1143–1148; doi:10.1107/S0567740875004682

data_9016322
_publ_section_title
;
 Structure cristalline du monophosphate de zinc-potassium: Zn2KH(PO4)2(H2O)2.5
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1143
_journal_page_last               1148
_journal_paper_doi               10.1107/S0567740875004682
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'K2 O21 P4 Zn4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.21
_cell_angle_beta                 113.35
_cell_angle_gamma                95.92
_cell_length_a                   9.109
_cell_length_b                   13.543
_cell_length_c                   8.814
_cell_formula_units_Z            2
_cell_volume                     954.277
_database_code_amcsd             0009533
_exptl_crystal_density_diffrn    2.783
_cod_duplicate_entry             1007025
_cod_original_formula_sum        'Zn4 K2 P4 O21'
_cod_database_code               9016322
_amcsd_formula_title             'H6 K O10.5 P2 Zn2'
Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets
Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; American Mineralogist 98 (2013) 512–517; doi:10.2138/am.2013.4219

data_9016323
_publ_section_title
;
 Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX.
 Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               517
_journal_paper_doi               10.2138/am.2013.4219
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Otto Mountain near Baker, California, USA'
_chemical_formula_sum            'C H2 Cu O10 Pb3 Te'
_chemical_name_mineral           Agaite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6522
_cell_length_b                   9.1630
_cell_length_c                   9.6011
_cell_volume                     937.126
_database_code_amcsd             0019782
_exptl_crystal_density_diffrn    6.994
_cod_original_formula_sum        'Pb3 Cu Te C O10 H2'
_cod_database_code               9016323
The crystal structure of a synthetic orthorhombic N = 8 member of the lillianite homologous series
Topa, D.; Makovicky, E.; Schimper, H. J.; Dittrich, H.; The Canadian Mineralogist 48 (2010) 1127–1135; doi:10.3749/canmin.48.5.1127

data_9016324
_publ_section_title
;
 The crystal structure of a synthetic orthorhombic N = 8
 member of the lillianite homologous series
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1127
_journal_page_last               1135
_journal_paper_doi               10.3749/canmin.48.5.1127
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag2.33 Bi4.612 Pb2.058 S10'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.084
_cell_length_b                   13.453
_cell_length_c                   33.932
_cell_formula_units_Z            4
_cell_volume                     1864.294
_database_code_amcsd             0017871
_exptl_crystal_density_diffrn    6.991
_cod_original_formula_sum        'Pb2.058 Ag2.33 Bi4.612 S10'
_cod_database_code               9016324
_amcsd_formula_title             Ag2.25Pb2.5Bi4.25S10
Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte
Morosin, B.; Acta Crystallographica, Section B 34 (1978) 3732–3734; doi:10.1107/S0567740878011991

data_9016325
_publ_section_title
;
 Hydrogen uranyl phosphate tetrahydrate, a hydrogen ion solid electrolyte
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3732
_journal_page_last               3734
_journal_paper_doi               10.1107/S0567740878011991
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O10 P U'
_chemical_name_mineral           Chernikovite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.995
_cell_length_b                   6.995
_cell_length_c                   17.491
_cell_volume                     855.835
_database_code_amcsd             0019269
_exptl_crystal_density_diffrn    3.392
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'U P O10 H8'
_cod_database_code               9016325
CuO: x-ray single-crystal structure determination at 196 K and room temperature Note: T = room temperature
Asbrink, S.; Waskowska, A.; Journal of Physics: Condensed Matter 3 (1991) 8173–8180; doi:10.1088/0953-8984/3/42/012

data_9016326
_publ_section_title
;
 CuO: x-ray single-crystal structure determination at 196 K and room temperature
 Note: T = room temperature
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8173
_journal_page_last               8180
_journal_paper_doi               10.1088/0953-8984/3/42/012
_journal_volume                  3
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.546
_cell_angle_gamma                90
_cell_length_a                   4.6927
_cell_length_b                   3.4283
_cell_length_c                   5.1370
_cell_formula_units_Z            4
_cell_volume                     81.500
_database_code_amcsd             0018822
_exptl_crystal_density_diffrn    6.483
_cod_database_code               9016326
Electron density in synthetic eskolaite Cr2O3 with a corundum structure and its relation to antiferromagnetic properties
Belokoneva, E. L.; Shcherbakova, Y. K.; Russian Journal of Inorganic Chemistry 48 (2003) 861–869; doi:

data_9016327
_publ_section_title
;
 Electron density in synthetic eskolaite Cr2O3 with a corundum structure
 and its relation to antiferromagnetic properties
;
_journal_name_full               'Russian Journal of Inorganic Chemistry'
_journal_page_first              861
_journal_page_last               869
_journal_volume                  48
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_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                   4.953
_cell_length_b                   4.953
_cell_length_c                   13.578
_cell_formula_units_Z            6
_cell_volume                     288.472
_database_code_amcsd             0017802
_exptl_crystal_density_diffrn    5.249
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9016327
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 3 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_9016328
_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 650 C
 Annealing time = 3 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 Fe0.391 Mg 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                   8.1470
_cell_length_b                   8.1470
_cell_length_c                   8.1470
_cell_formula_units_Z            8
_cell_volume                     540.746
_database_code_amcsd             0019285
_exptl_crystal_density_diffrn    3.772
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.609 Mg Fe.391) O4'
_cod_database_code               9016328
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 25.01 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016329
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 25.01 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Synthetic, Sample M605'
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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                   3.480
_cell_length_b                   3.480
_cell_length_c                   3.480
_cell_formula_units_Z            4
_cell_volume                     42.144
_database_code_amcsd             0019423
_exptl_crystal_density_diffrn    8.802
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016329
The crystal structure of zigrasite, MgZr(PO4)2(H2O)4, a heteropolyhedral framework structure
Hawthorne, F. C.; Simmons, W. B.; Mineralogical Magazine 74 (2010) 567–575; doi:10.1180/minmag.2010.074.3.567

data_9016330
_publ_section_title
;
 The crystal structure of zigrasite, MgZr(PO4)2(H2O)4,
 a heteropolyhedral framework structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              567
_journal_page_last               575
_journal_paper_doi               10.1180/minmag.2010.074.3.567
_journal_volume                  74
_journal_year                    2010
_chemical_compound_source        'Newry, Oxford County, Maine, USA'
_chemical_formula_sum            'H8 Mg O12 P2 Zr'
_chemical_name_mineral           Zigrasite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.348
_cell_angle_beta                 91.534
_cell_angle_gamma                90.512
_cell_formula_units_Z            2
_cell_length_a                   5.3049
_cell_length_b                   9.3372
_cell_length_c                   9.6282
_cell_volume                     472.790
_database_code_amcsd             0014605
_exptl_crystal_density_diffrn    2.652
_cod_original_formula_sum        'Zr P2 Mg O12 H8'
_cod_database_code               9016330
Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif, Eastern Siberia, Russia
Lazic, B.; Armbruster, T.; Savelyeva, V. B.; Zadov, A. E.; Pertsev, N. N.; Dzierzanowski, P.; Mineralogical Magazine 75 (2011) 2631–2648; doi:10.1180/minmag.2011.075.5.2631

data_9016331
_publ_section_title
;
 Galuskinite, Ca7(SiO4)3(CO3), a new skarn mineral from the Birkhin gabbro massif,
 Eastern Siberia, Russia
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2631
_journal_page_last               2648
_journal_paper_doi               10.1180/minmag.2011.075.5.2631
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Birkhin gabbro massif, Eastern Siberia, Russia'
_chemical_formula_sum            'C H0.218 Ca7 O15.109 Si3'
_chemical_name_mineral           Galuskinite
_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                 90.7880
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.7872
_cell_length_b                   6.7244
_cell_length_c                   10.4673
_cell_volume                     1322.237
_database_code_amcsd             0018535
_exptl_crystal_density_diffrn    3.108
_cod_original_formula_sum        'Ca7 Si3 O15.109 C H.218'
_cod_database_code               9016331
Kristallhydrate. II.Die Struktur von Chromchlorid- und Aluminiumchloridhexahydrat. _cod_database_code 1010199
Andress, K.; Carpenter, C.; Zeitschrift fur Kristallographie 87 (1934) 446–463; doi:

data_9016332
_publ_section_title
;
 Kristallhydrate. II.Die Struktur von Chromchlorid- und
 Aluminiumchloridhexahydrat.
 _cod_database_code 1010199
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              446
_journal_page_last               463
_journal_volume                  87
_journal_year                    1934
_chemical_formula_sum            'Cl3 Cr O6'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                97.00
_cell_angle_beta                 97.00
_cell_angle_gamma                97.00
_cell_length_a                   7.95
_cell_length_b                   7.95
_cell_length_c                   7.95
_cell_formula_units_Z            2
_cell_volume                     490.207
_database_code_amcsd             0017135
_exptl_crystal_density_diffrn    1.723
_cod_duplicate_entry             1010199
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Cr Cl3 O6'
_cod_database_code               9016332
_amcsd_formula_title             'Cl3 Cr H12 O6'
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.; Solid State Sciences 12 (2010) 1263–1269; doi:10.1016/j.solidstatesciences.2010.02.036

data_9016333
_publ_section_title
;
 Structural studies of the aeschynite-euxenite transformation in
 the series Ln(TiTa)O6 Ln = lanthanide
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1263
_journal_page_last               1269
_journal_paper_doi               10.1016/j.solidstatesciences.2010.02.036
_journal_volume                  12
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O6 Ta Ti Yb'
_chemical_name_mineral           Tanteuxenite-(Yb)
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.5478
_cell_length_b                   5.5289
_cell_length_c                   5.1683
_cell_formula_units_Z            4
_cell_volume                     415.704
_database_code_amcsd             0018930
_exptl_crystal_density_diffrn    7.955
_cod_original_formula_sum        'Yb (Ti Ta) O6'
_cod_database_code               9016333
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 17.59 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9016334
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 17.59 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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                   3.521
_cell_length_b                   3.521
_cell_length_c                   3.521
_cell_formula_units_Z            4
_cell_volume                     43.651
_database_code_amcsd             0019415
_exptl_crystal_density_diffrn    8.498
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016334
_cod_duplicate_entry 9014789
Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais, Brazil: Crystal chemistry and Rietveld refinement Note: Identification of OH not reported
Atencio, D.; Contreira, R. R.; Mills, S. J.; Coutinho, J. M. V.; Honorato, S. B.; Ayala, A. P.; Ellena, J.; De Andrade, M. B.; American Mineralogist 96 (2011) 1455–1460; doi:10.2138/am.2011.3594

data_9016335
_publ_section_title
;
 Rankamaite from the Urubu pegmatite, Itinga, Minas Gerais,
 Brazil: Crystal chemistry and Rietveld refinement
 Note: Identification of OH not reported
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1455
_journal_page_last               1460
_journal_paper_doi               10.2138/am.2011.3594
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Urubu pegmatite, Itinga, Minas Gerais, Brazil'
_chemical_formula_sum            'Al0.6 K1.26 Na2.22 Nb1.29 O31 Ta9.11'
_chemical_name_mineral           Rankamaite
_space_group_IT_number           21
_symmetry_space_group_name_Hall  'C 2 2'
_symmetry_space_group_name_H-M   'C 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.224
_cell_length_b                   17.687
_cell_length_c                   3.9361
_cell_formula_units_Z            2
_cell_volume                     1199.097
_database_code_amcsd             0018556
_exptl_crystal_density_diffrn    6.594
_cod_original_formula_sum        'K1.26 Na2.22 Ta9.11 Nb1.29 Al.6 O31'
_cod_database_code               9016335