LMucko/crystallography-open-database huggingface dataset:
Ueber die Struktur der Tripelnitrite. _cod_database_code 1010259
van Driel, M.; Verweel, H.; Zeitschrift fur Kristallographie 95 (1936) 308–314; doi:

data_9015772
_publ_section_title
;
 Ueber die Struktur der Tripelnitrite.
 _cod_database_code 1010259
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              308
_journal_page_last               314
_journal_volume                  95
_journal_year                    1936
_chemical_formula_sum            'Co H12 N9 O12'
_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_formula_units_Z            4
_cell_length_a                   10.78
_cell_length_b                   10.78
_cell_length_c                   10.78
_cell_volume                     1252.727
_database_code_amcsd             0017186
_exptl_crystal_density_diffrn    1.999
_cod_duplicate_entry             1010259
_cod_original_sg_symbol_H-M      'F m 3'
_cod_original_formula_sum        'N9 Co O12'
_cod_database_code               9015772
_amcsd_formula_title             'Co H12 N9 O12'
A mixed valent titanium diphosphate with an intersecting tunnel structure K0.58TiP2O7 _cod_database_code 1001621
Leclaire, A.; Chardon; Borel, M.; Raveau, B.; Journal of Solid State Chemistry 109 (1994) 83–87; doi:10.1006/jssc.1994.1075

data_9015773
_publ_section_title
;
 A mixed valent titanium diphosphate with an intersecting tunnel
 structure K0.58TiP2O7
 _cod_database_code 1001621
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              83
_journal_page_last               87
_journal_paper_doi               10.1006/jssc.1994.1075
_journal_volume                  109
_journal_year                    1994
_chemical_formula_sum            'K1.08 O14 P4 Ti2'
_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                 119.73
_cell_angle_gamma                90
_cell_length_a                   17.85199
_cell_length_b                   6.298
_cell_length_c                   12.181
_cell_formula_units_Z            4
_cell_volume                     1189.263
_database_code_amcsd             0013797
_exptl_crystal_density_diffrn    2.714
_cod_original_formula_sum        'Ti2 P4 K1.08 O14'
_cod_database_code               9015773
_amcsd_formula_title             'K0.58 O7 P2 Ti'
_cod_duplicate_entry 1001621
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 11.66 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_9015774
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 11.66 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                   3.557
_cell_length_b                   3.557
_cell_length_c                   3.557
_cell_formula_units_Z            4
_cell_volume                     45.004
_database_code_amcsd             0019430
_exptl_crystal_density_diffrn    8.242
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015774
_cod_duplicate_entry 9015445
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU83
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015775
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU83
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.77 H4 O10 Si2 Sr0.23'
_chemical_name_mineral           Lawsonite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 123.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3025
_cell_length_b                   13.174
_cell_length_c                   5.8422
_cell_volume                     339.448
_database_code_amcsd             0018936
_exptl_crystal_density_diffrn    3.181
_cod_original_formula_sum        '(Ca.77 Sr.23) Al2 Si2 O10 H4'
_cod_database_code               9015775
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par echanges d'ions _cod_database_code 1001265
Groult, D.; Michel, C.; Raveau, B.; Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203–2205; doi:10.1016/0022-1902(75)80857-8

data_9015776
_publ_section_title
;
 Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par
 echanges d'ions
 _cod_database_code 1001265
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              2203
_journal_page_last               2205
_journal_paper_doi               10.1016/0022-1902(75)80857-8
_journal_volume                  37
_journal_year                    1975
_chemical_formula_sum            'Nb2 O7 Sr0.4'
_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                   10.560
_cell_length_b                   10.560
_cell_length_c                   10.560
_cell_formula_units_Z            8
_cell_volume                     1177.584
_database_code_amcsd             0013047
_exptl_crystal_density_diffrn    3.755
_cod_duplicate_entry             1001265
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Nb2 Sr.4 O7'
_cod_database_code               9015776
_amcsd_formula_title             'H3.2 Nb2 O7 Sr0.4'
Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks: Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure
Dimitrijevic, R.; Dondur, V.; Kremenovic, A.; Zeolites 16 (1996) 294–300; doi:10.1016/0144-2449(95)00154-9

data_9015777
_publ_section_title
;
 Thermally induced phase transformations of Ca-exchanged LTA and FAU zeolite frameworks:
 Rietveld refinement of the hexagonal CaAl2Si2O8 diphyllosilicate structure
;
_journal_name_full               Zeolites
_journal_page_first              294
_journal_page_last               300
_journal_paper_doi               10.1016/0144-2449(95)00154-9
_journal_volume                  16
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Dmisteinbergite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1175
_cell_length_b                   5.1175
_cell_length_c                   14.7716
_cell_formula_units_Z            2
_cell_volume                     335.022
_database_code_amcsd             0019481
_exptl_crystal_density_diffrn    2.758
_cod_original_formula_sum        'Ca (Si2 Al2) O8'
_cod_database_code               9015777
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 56.8 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 51 (1980) 5362–5367; doi:10.1063/1.327451

data_9015778
_publ_section_title
;
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 56.8 kbar
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              5362
_journal_page_last               5367
_journal_paper_doi               10.1063/1.327451
_journal_volume                  51
_journal_year                    1980
_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                   4.9128
_cell_length_b                   4.9128
_cell_length_c                   13.4689
_cell_formula_units_Z            6
_cell_volume                     281.528
_database_code_amcsd             0017740
_exptl_crystal_density_diffrn    5.379
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9015778
In situ analysis of garnet inclusion in diamond using single-crystal X-ray diffraction and X-ray micro-tomography Note: uncorrected for pressure inside the diamond
Nestola, F.; Merli, M.; Nimis, P.; Parisatto, M.; Kopylova, M.; De Stefano, A.; Longo, M.; Ziberna, L.; Manghnani, M.; European Journal of Mineralogy 24 (2012) 599–606; doi:10.1127/0935-1221/2012/0024-2212

data_9015779
_publ_section_title
;
 In situ analysis of garnet inclusion in diamond using
 single-crystal X-ray diffraction and X-ray micro-tomography
 Note: uncorrected for pressure inside the diamond
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              599
_journal_page_last               606
_journal_paper_doi               10.1127/0935-1221/2012/0024-2212
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'inclusion in diamond, Jericho kimberlite, Slave Craton, Canada'
_chemical_formula_sum            'Al1.98 Ca0.69 Cr0.02 Fe1.08 Mg1.23 O12 Si3'
_chemical_name_mineral           Pyrope
_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                   11.5826
_cell_length_b                   11.5825
_cell_length_c                   11.5826
_cell_formula_units_Z            8
_cell_volume                     1553.869
_database_code_amcsd             0019353
_exptl_crystal_density_diffrn    3.835
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum
'(Mg1.23 Fe1.08 Ca.69) (Al1.98 Cr.02) Si3 O12'
_cod_database_code               9015779
Existence d'un nouvel anion condense: Cr2PO10. Structures cristallines de deux phosphochromates de baryum: BaHCr2PO10*H2O et BaHCr2PO10*3H2O
Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 33 (1977) 1431–1435; doi:10.1107/S0567740877006232

data_9015780
_publ_section_title
;
 Existence d'un nouvel anion condense: Cr2PO10.
 Structures cristallines de deux phosphochromates de baryum:
 BaHCr2PO10*H2O et BaHCr2PO10*3H2O
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1431
_journal_page_last               1435
_journal_paper_doi               10.1107/S0567740877006232
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Ba Cr2 O11 P'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                106.28
_cell_angle_beta                 105.37
_cell_angle_gamma                94.14
_cell_length_a                   9.333
_cell_length_b                   7.779
_cell_length_c                   7.526
_cell_formula_units_Z            2
_cell_volume                     499.356
_database_code_amcsd             0009587
_exptl_crystal_density_diffrn    2.981
_cod_original_formula_sum        'Ba Cr2 P O11'
_cod_database_code               9015780
_amcsd_formula_title             'Ba Cr2 H3 O11 P'
Structure cristalline des cyanures doubles de baryum a base de platine, de palladium et de nickel
Brasseur, H.; de Rassenfosse, A.; Bulletin de la Societe Francaise de Mineralogie 61 (1938) 129–136; doi:

data_9015781
_publ_section_title
;
Structure cristalline des cyanures doubles de baryum a base de platine,
de palladium et de nickel
;
_journal_coden_ASTM              BSFMAU
_journal_name_full
;
 Bulletin de la Societe Francaise de Mineralogie
;
_journal_page_first              129
_journal_page_last               136
_journal_volume                  61
_journal_year                    1938
_chemical_formula_sum            'C4 H8 Ba N4 Ni O4'
_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                 104.83
_cell_angle_gamma                90
_cell_length_a                   11.71
_cell_length_b                   13.48
_cell_length_c                   6.63
_cell_formula_units_Z            4
_cell_volume                     1011.690
_exptl_crystal_density_diffrn    2.023
_cod_duplicate_entry             1010320
_cod_original_formula_sum        'Ba Ni C4 O4'
_cod_database_code               9015781
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 = 67,020 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_9015782
_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 = 67,020 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            'Al1.461 Fe0.537 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                   8.1705
_cell_length_b                   8.1705
_cell_length_c                   8.1705
_cell_formula_units_Z            8
_cell_volume                     545.439
_database_code_amcsd             0019320
_exptl_crystal_density_diffrn    3.842
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.461 Mg1.001 Fe.537 O4'
_cod_database_code               9015782
The crystal structure of xitieshanite
Jingliang, Z.; Li, J.; Wei, D.; Kexue Tongbao 33 (1988) 502–505; doi:

data_9015783
_publ_section_title
;
 The crystal structure of xitieshanite
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              502
_journal_page_last               505
_journal_volume                  33
_journal_year                    1988
_chemical_compound_source        'Xitieshan, Quinghai Province, China'
_chemical_formula_sum            'Cl Fe H12 O10 S'
_chemical_name_mineral           Xitieshanite
_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                 111.407
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6776
_cell_length_b                   6.9148
_cell_length_c                   14.1193
_cell_volume                     970.558
_database_code_amcsd             0019142
_exptl_crystal_density_diffrn    2.022
_cod_original_formula_sum        'Fe S Cl (O10 H12)'
_cod_database_code               9015783
Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy Note: this dataset represents the standard tourmaline model
Bosi, F.; Skogby, H.; Agrosì G; Scandale, E.; American Mineralogist 97 (2012) 989–994; doi:10.2138/am.2012.4019

data_9015784
_publ_section_title
;
 Tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3OH, a new mineral species of the tourmaline
 supergroup from Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy
 Note: this dataset represents the standard tourmaline model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              989
_journal_page_last               994
_journal_paper_doi               10.2138/am.2012.4019
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Grotta d'Oggi, San Pietro in Campo, island of Elba, Italy'
_chemical_formula_sum
'Al7.14 B3.06 Ca0.02 F0.41 H6.39 K0.01 Li0.54 Mn1.341 Na0.67 O30.59 Si5.94 Ti0.039'
_chemical_name_mineral           Tsilaisite
_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                   15.9461
_cell_length_b                   15.9461
_cell_length_c                   7.1380
_cell_volume                     1571.868
_database_code_amcsd             0018865
_exptl_crystal_density_diffrn    3.144
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.67 Ca.02 K.01 Mn1.341 Al7.14 Li.54 Ti.039 Si5.94 B3.06 O30.59 F.41 H6.39'
_cod_database_code               9015784
Structure cristalline d'un phosphochromate acide de cuivre potassium: Cu K2 H2 (P Cr O7)2 _cod_database_code 1007042
Coing-Boyat J; Durif, A.; Guitel, J.; Journal of Solid State Chemistry 30 (1979) 329–334; doi:10.1016/0022-4596(79)90244-5

data_9015785
_publ_section_title
;
 Structure cristalline d'un phosphochromate acide de cuivre potassium:
 Cu K2 H2 (P Cr O7)2
 _cod_database_code 1007042
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              329
_journal_page_last               334
_journal_paper_doi               10.1016/0022-4596(79)90244-5
_journal_volume                  30
_journal_year                    1979
_chemical_formula_sum            'Cr2 Cu K2 O14 P2'
_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                 93.73
_cell_angle_gamma                90
_cell_length_a                   9.559
_cell_length_b                   7.196
_cell_length_c                   8.983
_cell_formula_units_Z            2
_cell_volume                     616.601
_database_code_amcsd             0013372
_exptl_crystal_density_diffrn    2.864
_cod_duplicate_entry             1007042
_cod_original_formula_sum        'Cu K2 Cr2 P2 O14'
_cod_database_code               9015785
_amcsd_formula_title             'Cr2 Cu H2 K2 O14 P2'
Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile
Yang, H.; Jenkins, R. A.; Downs, R. T.; Evans, S. H.; Tait, K. T.; The Canadian Mineralogist 49 (2011) 877–884; doi:10.3749/canmin.49.3.877

data_9015786
_publ_section_title
;
 Rruffite, Ca2Cu(AsO4)2*2H2O, a new member of the roselite group, from Tierra Amarilla, Chile
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              877
_journal_page_last               884
_journal_paper_doi               10.3749/canmin.49.3.877
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'the Maria Catalina mine, Tierra Amarilla, Chile'
_chemical_formula_sum            'As2 Ca2 Cu H4 O10'
_chemical_name_mineral           Rruffite
_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                 109.425
_cell_angle_gamma                90
_cell_length_a                   5.8618
_cell_length_b                   12.7854
_cell_length_c                   5.7025
_cell_formula_units_Z            2
_cell_volume                     403.049
_database_code_amcsd             0018388
_exptl_crystal_density_diffrn    3.770
_cod_original_formula_sum        'Ca2 Cu As2 O10 H4'
_cod_database_code               9015786
New antiferromagnetic semiconductor CuCr1.5Sb0.5S4
Warczewski, J.; Kusz, J.; Filimonov, D. S.; Kessler, Y. A.; Koroleva, L. I.; Mikheev, M. G.; Odintsov, A. G.; Aminov, T. G.; Busheva, E. V.; Shabunina, G. G.; Journal of Magnetism and Magnetic Materials 175 (1997) 299–303; doi:10.1016/S0304-8853(97)00161-3

data_9015787
_publ_section_title
;
 New antiferromagnetic semiconductor CuCr1.5Sb0.5S4
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              299
_journal_page_last               303
_journal_paper_doi               10.1016/S0304-8853(97)00161-3
_journal_volume                  175
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr1.5 Cu S4 Sb0.5'
_chemical_name_mineral           Florensovite
_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                   9.993
_cell_length_b                   9.993
_cell_length_c                   9.993
_cell_formula_units_Z            8
_cell_volume                     997.901
_database_code_amcsd             0015897
_exptl_crystal_density_diffrn    4.402
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu (Cr1.5 Sb.5) S4'
_cod_database_code               9015787