LMucko/crystallography-open-database huggingface dataset:
Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide precursors and sol-gel methods, and study of the structure and Cu-Ti distribution by X-ray and neutron diffraction _cod_database_code 1006097
Palacin, M.; Bassas, J.; Rodriguez-Carvajal J; Gomez-Romero P; Journal of Materials Chemistry 3 (1993) 1171–1177; doi:10.1039/jm9930301171

data_9016418
_publ_section_title
;
 Syntheses of the perovskite La2 Cu Ti O6 by the ceramic, oxide
 precursors and sol-gel methods, and study of the structure and Cu-Ti
 distribution by X-ray and neutron diffraction
 _cod_database_code 1006097
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              1171
_journal_page_last               1177
_journal_paper_doi               10.1039/jm9930301171
_journal_volume                  3
_journal_year                    1993
_chemical_formula_sum            'Cu0.496 La O3 Ti0.504'
_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                   5.6262
_cell_length_b                   7.8396
_cell_length_c                   5.5702
_cell_formula_units_Z            4
_cell_volume                     245.686
_database_code_amcsd             0013070
_exptl_crystal_density_diffrn    6.557
_cod_duplicate_entry             1006097
_cod_original_formula_sum        'La (Cu.496 Ti.504) O3'
_cod_database_code               9016418
_amcsd_formula_title             'Cu La2 O6 Ti'
Ricerche sulla struttura dei pseudo-alogeni e dei loro composti. - I. Tiocianato di tallio _cod_database_code 1010348
Strada, M.; Gazzetta Chimica Italiana 64 (1934) 400–409; doi:

data_9016419
_publ_section_title
;
 Ricerche sulla struttura dei pseudo-alogeni e dei loro composti. - I.
 Tiocianato di tallio
 _cod_database_code 1010348
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              400
_journal_page_last               409
_journal_volume                  64
_journal_year                    1934
_chemical_formula_sum            'C Tl'
_space_group_IT_number           75
_symmetry_space_group_name_Hall  'P 4'
_symmetry_space_group_name_H-M   'P 4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.766
_cell_length_b                   4.766
_cell_length_c                   3.78
_cell_formula_units_Z            1
_cell_volume                     85.862
_database_code_amcsd             0017274
_exptl_crystal_density_diffrn    4.185
_cod_duplicate_entry             1010348
_cod_original_formula_sum        'Tl C'
_cod_database_code               9016419
_amcsd_formula_title             'N S Tl'
Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and relations to synthetic solid solutions Note: This sample may be named wrong Sample BT
Ertl, A.; Hughes, J. M.; Prowatke, S.; Rossman, G. R.; London, D.; Fritz, E. A.; American Mineralogist 88 (2003) 1369–1376; doi:

data_9016420
_publ_section_title
;
 Mn-rich tourmaline from Austria: structure, chemistry, optical spectra, and
 relations to synthetic solid solutions
 Note: This sample may be named wrong
 Sample BT
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1369
_journal_page_last               1376
_journal_volume                  88
_journal_year                    2003
_chemical_compound_source        'Eibenstein an der Thaya, Lower Austria'
_chemical_formula_sum
'Al7.308 B3 Ca0.011 F0.48 Fe0.021 H3.25 K0.002 Li0.378 Mn1.233 Na0.693 O30.57 Si5.928'
_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                   15.9466
_cell_length_b                   15.9466
_cell_length_c                   7.1384
_cell_volume                     1572.055
_database_code_amcsd             0003156
_exptl_crystal_density_diffrn    3.123
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.693 Ca.011 K.002 Al7.308 Mn1.233 Fe.021 Li.378 Si5.928 B3 O30.57 F.48 H3.25'
_cod_database_code               9016420
Etude des proprietes structurales et electriques de la solution solide Pb1-x Bix Ox F2-x _cod_database_code 1008300
Soubeyroux, J.; Matar, S.; Reau, J.; Hagenmuller, P.; Solid State Ionics 14 (1984) 337–345; doi:10.1016/0167-2738(84)90118-8

data_9016421
_publ_section_title
;
 Etude des proprietes structurales et electriques de la solution solide
 Pb1-x Bix Ox F2-x
 _cod_database_code 1008300
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              337
_journal_page_last               345
_journal_paper_doi               10.1016/0167-2738(84)90118-8
_journal_volume                  14
_journal_year                    1984
_chemical_formula_sum            'Bi0.6 F1.412 O0.603 Pb0.4'
_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                   5.8722
_cell_length_b                   5.8722
_cell_length_c                   5.8722
_cell_formula_units_Z            4
_cell_volume                     202.490
_database_code_amcsd             0016222
_exptl_crystal_density_diffrn    8.028
_cod_duplicate_entry             1008300
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb.4 Bi.6 O.603 F1.412'
_cod_database_code               9016421
_amcsd_formula_title             'Bi0.6 F1.4 O0.6 Pb0.4'
Orientation relationships of carlsbergite in schreibersite and kamacite in the north Chile iron meteorite
Nolze, G.; Wagner, G.; Saliwan Neumann, R.; Skála R; Geist, V.; Mineralogical Magazine 70 (2006) 373–382; doi:10.1180/0026461067040342

data_9016422
_publ_section_title
;
 Orientation relationships of carlsbergite in schreibersite and kamacite
 in the north Chile iron meteorite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              373
_journal_page_last               382
_journal_paper_doi               10.1180/0026461067040342
_journal_volume                  70
_journal_year                    2006
_chemical_compound_source        'north Chile iron meteorite'
_chemical_formula_sum            'Cr N'
_chemical_name_mineral           Carlsbergite
_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                   4.148
_cell_length_b                   4.148
_cell_length_c                   4.148
_cell_formula_units_Z            4
_cell_volume                     71.370
_database_code_amcsd             0019174
_exptl_crystal_density_diffrn    6.143
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9016422
The Crystal Structure of Nacrite Al2 O3 . 2Si O2 . 2H2 O and the Polymorphism of the Kaolin Minerals.
Hendricks, S.; Zeitschrift fur Kristallographie 100 (1939) 509–518; doi:

data_9016423
_publ_section_title
;
 The Crystal Structure of Nacrite Al2 O3 . 2Si O2 . 2H2 O and the
 Polymorphism of the Kaolin Minerals.
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              509
_journal_page_last               518
_journal_volume                  100
_journal_year                    1939
_chemical_formula_sum            'Al2 O9 Si2'
_chemical_name_mineral           Nacrite
_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                 90.33
_cell_angle_gamma                90
_cell_length_a                   8.94
_cell_length_b                   5.14
_cell_length_c                   43.0
_cell_formula_units_Z            12
_cell_volume                     1975.886
_database_code_amcsd             0017961
_exptl_crystal_density_diffrn    2.563
_cod_duplicate_entry             1011062
_cod_original_formula_sum        'Al2 Si2 O9'
_cod_database_code               9016423
The crystal structure of gustavite, PbAgBi3S6 Analysis of twinning and polytypism using the OD approach
Makovicky, E.; Topa, D.; European Journal of Mineralogy 23 (2011) 537–550; doi:10.1127/0935-1221/2011/0023-2114

data_9016424
_publ_section_title
;
 The crystal structure of gustavite, PbAgBi3S6
 Analysis of twinning and polytypism using the OD approach
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              537
_journal_page_last               550
_journal_paper_doi               10.1127/0935-1221/2011/0023-2114
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source        'Rotgulden, Lungau, Salzburg Land, Austria'
_chemical_formula_sum            'Ag0.986 Bi2.905 Pb S6 Sb0.109'
_chemical_name_mineral           Gustavite
_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                 106.961
_cell_angle_gamma                90
_cell_length_a                   7.0567
_cell_length_b                   19.6905
_cell_length_c                   8.2219
_cell_formula_units_Z            4
_cell_volume                     1092.741
_database_code_amcsd             0018646
_exptl_crystal_density_diffrn    6.846
_cod_original_formula_sum        'Bi2.905 Sb.109 Ag.986 Pb S6'
_cod_database_code               9016424
Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania
Ilinca, G.; Makovicky, E.; Topa, D.; Zagler, G.; The Canadian Mineralogist 50 (2012) 353–370; doi:10.3749/canmin.50.2.353

data_9016425
_publ_section_title
;
 Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              353
_journal_page_last               370
_journal_paper_doi               10.3749/canmin.50.2.353
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'skarn deposit of Baita Bihor, Romania'
_chemical_formula_sum            'Ag0.44 Bi13.19 Cu4 Pb12.27 S34'
_chemical_name_mineral           Cuproneyite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.800
_cell_angle_gamma                90
_cell_length_a                   37.432
_cell_length_b                   4.0529
_cell_length_c                   43.545
_cell_formula_units_Z            4
_cell_volume                     6253.690
_database_code_amcsd             0019214
_exptl_crystal_density_diffrn    7.106
_cod_original_cell_volume        6253.689
_cod_original_formula_sum        'Bi13.19 Pb12.27 Ag.44 Cu4 S34'
_cod_database_code               9016425
Crystal structure refinements of zircon-type MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
Chakoumakos, B. C.; Abraham, M. M.; Boatner, L. A.; Journal of Solid State Chemistry 109 (1994) 197–202; doi:10.1006/jssc.1994.1091

data_9016426
_publ_section_title
;
 Crystal structure refinements of zircon-type
 MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              197
_journal_page_last               202
_journal_paper_doi               10.1006/jssc.1994.1091
_journal_volume                  109
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce O4 V'
_chemical_name_mineral           Wakefieldite-(Nd)
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3308
_cell_length_b                   7.3308
_cell_length_c                   6.4356
_cell_formula_units_Z            4
_cell_volume                     345.853
_database_code_amcsd             0013801
_exptl_crystal_density_diffrn    4.898
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Ce V O4'
_cod_database_code               9016426
High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction Note: P = 70.4 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_9016427
_publ_section_title
;
 High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction
 Note: P = 70.4 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                   4.605
_cell_length_b                   4.605
_cell_length_c                   12.854
_cell_volume                     236.063
_exptl_crystal_density_diffrn    6.415
_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               9016427
Les structures des cristaux de Northupite, de Northupite bromee et de Tychite. _cod_database_code 1011022
Shiba, H.; Watanabe, T.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 193 (1931) 1421–1423; doi:

data_9016428
_publ_section_title
;
 Les structures des cristaux de Northupite, de Northupite bromee et de
 Tychite.
 _cod_database_code 1011022
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              1421
_journal_page_last               1423
_journal_volume                  193
_journal_year                    1931
_chemical_formula_sum            'C2 Br Mg Na3 O6'
_chemical_name_mineral           'Northupite (Br)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.17
_cell_length_b                   14.17
_cell_length_c                   14.17
_cell_formula_units_Z            16
_cell_volume                     2845.179
_database_code_amcsd             0017929
_exptl_crystal_density_diffrn    2.738
_cod_duplicate_entry             1011022
_cod_original_cell_volume        2845.178
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Br Mg C2 Na3 O6'
_cod_database_code               9016428
The solid-state structure of diboronic acid, B2(OH)4
Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J.; New Journal of Chemistry 27 (2003) 772–775; doi:

data_9016429
_publ_section_title
;
 The solid-state structure of diboronic acid, B2(OH)4
;
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              772
_journal_page_last               775
_journal_volume                  27
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B H2 O2'
_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                 116.04
_cell_angle_gamma                90
_cell_length_a                   7.4090
_cell_length_b                   7.6660
_cell_length_c                   7.0421
_cell_formula_units_Z            8
_cell_volume                     359.371
_database_code_amcsd             0018617
_exptl_crystal_density_diffrn    1.657
_cod_original_formula_sum        'B O2 H2'
_cod_database_code               9016429
_amcsd_formula_title             B2(OH)4
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 250 K
Gatta, G. D.; Angel, R. J.; Carpenter, M. A.; American Mineralogist 95 (2010) 1027–1034; doi:10.2138/am.2010.3478

data_9016430
_publ_section_title
;
 Low-temperature behavior of natural kalsilite with P31c symmetry:
 An in situ single-crystal X-ray diffraction study
 T = 250 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1027
_journal_page_last               1034
_journal_paper_doi               10.2138/am.2010.3478
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'a granulite facies gneiss from the Punalur district in Kerala, India'
_chemical_formula_sum            'Al K0.982 O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1627
_cell_length_b                   5.1627
_cell_length_c                   8.7352
_cell_formula_units_Z            2
_cell_volume                     201.631
_database_code_amcsd             0005053
_exptl_crystal_density_diffrn    2.594
_cod_original_formula_sum        'K.982 Al Si O4'
_cod_database_code               9016430
Lithium defect and ordering phenomena in the new LiNbO3 like mixed tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5) _cod_database_code 1001505
Archaimbault, F.; Choisnet, J.; Rulmont, A.; Tarte, P.; Materials Chemistry and Physics 30 (1992) 245–252; doi:10.1016/0254-0584(92)90232-W

data_9016431
_publ_section_title
;
 Lithium defect and ordering phenomena in the new LiNbO3 like mixed
 tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5)
 _cod_database_code 1001505
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              245
_journal_page_last               252
_journal_paper_doi               10.1016/0254-0584(92)90232-W
_journal_volume                  30
_journal_year                    1992
_chemical_formula_sum            'Li0.875 Nb0.875 O3 Te0.125'
_space_group_IT_number           161
_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                   5.148
_cell_length_b                   5.148
_cell_length_c                   13.763
_cell_formula_units_Z            6
_cell_volume                     315.879
_database_code_amcsd             0014207
_exptl_crystal_density_diffrn    4.773
_cod_duplicate_entry             1001505
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Li.875 (Nb.875 Te.125) O3'
_cod_database_code               9016431
_amcsd_formula_title             'Li1.75 Nb1.75 O6 Te0.25'
Single crystal growth, structure and characterization of the octahedral cluster compound Re6 Se8 Br2 _cod_database_code 1008847
Speziali, N.; Berger, H.; Leicht, G.; Sanjines, R.; Chapius, G.; Levy, F.; Materials Research Bulletin 23 (1988) 1597–1604; doi:10.1016/0025-5408(88)90248-6

data_9016432
_publ_section_title
;
 Single crystal growth, structure and characterization of the octahedral
 cluster compound Re6 Se8 Br2
 _cod_database_code 1008847
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1597
_journal_page_last               1604
_journal_paper_doi               10.1016/0025-5408(88)90248-6
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Br Re3 Se4'
_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                 100.33
_cell_angle_gamma                90
_cell_length_a                   6.572
_cell_length_b                   11.851
_cell_length_c                   10.253
_cell_formula_units_Z            4
_cell_volume                     785.609
_database_code_amcsd             0016713
_exptl_crystal_density_diffrn    8.069
_cod_duplicate_entry             1008847
_cod_original_formula_sum        'Re3 Se4 Br'
_cod_database_code               9016432
_amcsd_formula_title             'Br2 Re6 Se8'
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: T = 396 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9016433
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: T = 396 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.92 O4 Si'
_chemical_name_mineral           Ringwoodite
_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                   8.0889
_cell_length_b                   8.0889
_cell_length_c                   8.0889
_cell_formula_units_Z            8
_cell_volume                     529.259
_database_code_amcsd             0018829
_exptl_crystal_density_diffrn    3.483
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.92 Si O4'
_cod_database_code               9016433
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl70bm
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9016434
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl70bm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1821
_journal_page_last               1827
_journal_paper_doi               10.2138/am.2012.4177
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Cu0.44 Mg0.56 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                   8.0846
_cell_length_b                   8.0846
_cell_length_c                   8.0846
_cell_formula_units_Z            8
_cell_volume                     528.416
_database_code_amcsd             0019568
_exptl_crystal_density_diffrn    4.011
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Cu.44 Mg.56 Al2) O4'
_cod_database_code               9016434