LMucko/crystallography-open-database huggingface dataset:
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.37 Note: P = 3.729 GPa
Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.; Physics and Chemistry of Minerals 35 (2008) 493–504; doi:10.1007/s00269-008-0244-4

data_9015955
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.37
 Note: P = 3.729 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              493
_journal_page_last               504
_journal_paper_doi               10.1007/s00269-008-0244-4
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.37 Ca2 Fe1.63 O5'
_chemical_name_mineral           Brownmillerite
_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                   5.3549
_cell_length_b                   14.5410
_cell_length_c                   5.5524
_cell_formula_units_Z            4
_cell_volume                     432.341
_database_code_amcsd             0017768
_exptl_crystal_density_diffrn    4.012
_cod_original_formula_sum        'Ca2 (Fe1.63 Al.37) O5'
_cod_database_code               9015955
Structural and chemical response to varying B content in zoned Fe-bearing olenite from Koralpe, Austria Sample: T3
Hughes, J. M.; Ertl, A.; Dyar, M. D.; Grew, E. S.; Wieden-beck M; Brandstatter, F.; American Mineralogist 89 (2004) 447–454; doi:

data_9015956
_publ_section_title
;
 Structural and chemical response to varying B content in zoned Fe-bearing olenite
 from Koralpe, Austria
 Sample: T3
;
_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
'Al8.367 B3.48 Be0.03 Ca0.252 Fe0.336 H3.31 Li0.273 Mg0.012 Mn0.015 Na0.478 O31 Si5.244 Ti0.009'
_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                   15.7959
_cell_length_b                   15.7959
_cell_length_c                   7.0815
_cell_volume                     1530.187
_database_code_amcsd             0003447
_exptl_crystal_density_diffrn    3.104
_cod_original_cell_volume        1530.188
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.478 Ca.252 Al8.367 Fe.336 Li.273 Mn.015 Mg.012 Ti.009 Si5.244 Be.03 B3.48 O31 H3.31'
_cod_database_code               9015956
Boron-oxygen polyanion in the crystal structure of tunellite
Clark, J. R.; Science 141 (1963) 1178–1179; doi:10.1126/science.141.3586.1178

data_9015957
_publ_section_title
;
 Boron-oxygen polyanion in the crystal structure of tunellite
;
_journal_name_full               Science
_journal_page_first              1178
_journal_page_last               1179
_journal_paper_doi               10.1126/science.141.3586.1178
_journal_volume                  141
_journal_year                    1963
_chemical_compound_source
'Jenifer mine, Kramer borate district, California, USA'
_chemical_formula_sum            'B6 H8 O14 Sr'
_chemical_name_mineral           Tunellite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.36
_cell_length_b                   8.198
_cell_length_c                   9.930
_cell_volume                     1068.590
_database_code_amcsd             0018902
_exptl_crystal_density_diffrn    2.390
_cod_original_formula_sum        'Sr B6 O14 H8'
_cod_database_code               9015957
The crystal structure of pyrosmalite
Kashaev, A. A.; Soviet Physics Crystallography 12 (1968) 923–924; doi:

data_9015958
_publ_section_title
;
 The crystal structure of pyrosmalite
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              923
_journal_page_last               924
_journal_volume                  12
_journal_year                    1968
_chemical_compound_source        'Central Kazakhstan'
_chemical_formula_sum            'Cl H9 Mn8 O24 Si6'
_chemical_name_mineral           Pyrosmalite-(Mn)
_space_group_crystal_system      trigonal
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.37
_cell_length_b                   13.37
_cell_length_c                   7.11
_cell_volume                     1100.685
_exptl_crystal_density_diffrn    3.127
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol and _cell_formula_units_Z data items,
 marking attached hydrogen atoms and updating the space group information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_formula_sum        'Mn8 Si6 O24 Cl H9'
_cod_database_code               9015958
High-pressure behavior of zoisite Note: P = 2.945 GPa
Alvaro, M.; Angel, R. J.; Camara, F.; American Mineralogist 97 (2012) 1165–1176; doi:10.2138/am.2012.4014

data_9015959
_publ_section_title
;
 High-pressure behavior of zoisite
 Note: P = 2.945 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                   16.1353
_cell_length_b                   5.5062
_cell_length_c                   9.9432
_cell_volume                     883.396
_database_code_amcsd             0019074
_exptl_crystal_density_diffrn    3.416
_cod_original_formula_sum        'Si3 Al3 Ca2 O13 H'
_cod_database_code               9015959
Lanthanite-(Nd), Nd2(CO3)3*8H2O
Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T.; Acta Crystallographica, Section E 69 (2013) i15–i16; doi:10.1107/S1600536813003164

data_9015960
_publ_section_title
;
 Lanthanite-(Nd), Nd2(CO3)3*8H2O
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i15
_journal_page_last               i16
_journal_paper_doi               10.1107/S1600536813003164
_journal_volume                  69
_journal_year                    2013
_chemical_compound_source
'Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan'
_chemical_formula_sum
'C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04'
_chemical_name_mineral           Lanthanite-(Nd)
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9391
_cell_length_b                   9.4694
_cell_length_c                   16.9374
_cell_volume                     1433.716
_database_code_amcsd             0019766
_exptl_crystal_density_diffrn    2.820
_cod_original_formula_sum
'(Nd.95 La.61 Pr.17 Sm.12 Gd.08 Y.04 Eu.03) C3 O17 H16'
_cod_database_code               9015960
Cs4 Sr3 H2 (P4 O12)3, a new derivative of Al4 (P4 O12)3 _cod_database_code 1007146
Averbuch-Pouchot M; Durif, A.; Acta Crystallographica, Section C 41 (1985) 1557–1558; doi:10.1107/S010827018500854X

data_9015961
_publ_section_title
;
 Cs4 Sr3 H2 (P4 O12)3, a new derivative of Al4 (P4 O12)3
 _cod_database_code 1007146
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1557
_journal_page_last               1558
_journal_paper_doi               10.1107/S010827018500854X
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum            'Cs4 O36 P12 Sr3'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.455
_cell_length_b                   15.455
_cell_length_c                   15.455
_cell_formula_units_Z            4
_cell_volume                     3691.535
_database_code_amcsd             0010013
_exptl_crystal_density_diffrn    3.135
_cod_duplicate_entry             1007146
_cod_original_formula_sum        'Cs4 Sr3 P12 O36'
_cod_database_code               9015961
_amcsd_formula_title             'Cs4 H2 O36 P12 Sr3'
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P22, P = 49.2 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_9015962
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P22, P = 49.2 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                   4.364
_cell_length_b                   4.364
_cell_length_c                   12.66
_cell_formula_units_Z            6
_cell_volume                     208.802
_database_code_amcsd             0017584
_exptl_crystal_density_diffrn    5.528
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015962
Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006
Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 32 (1994) 15–19; doi:

data_9015963
_publ_section_title
;
 Refinement of the crystal structure of kulanite
 Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              15
_journal_page_last               19
_journal_volume                  32
_journal_year                    1994
_chemical_compound_source        'Rapid Creek, Yukon, Canada'
_chemical_formula_sum            'Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3'
_chemical_name_mineral           Kulanite
_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                 100.48
_cell_angle_gamma                90
_cell_length_a                   9.014
_cell_length_b                   12.074
_cell_length_c                   4.926
_cell_formula_units_Z            2
_cell_volume                     527.178
_database_code_amcsd             0005343
_exptl_crystal_density_diffrn    3.881
_cod_original_formula_sum        'Ba Fe1.3 Mn.08 Mg.62 Al1.88 P3 H3 O15'
_cod_database_code               9015963
Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars Note: P = 0.001 kbar
Finger, L. W.; Hazen, R. M.; Journal of Applied Physics 51 (1980) 5362–5367; doi:10.1063/1.327451

data_9015964
_publ_section_title
;
 Crystal structure and isothermal compression of Fe2O3, Cr2O3, and V2O3 to 50 kbars
 Note: P = 0.001 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            'Fe2 O3'
_chemical_name_mineral           Hematite
_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                   5.0346
_cell_length_b                   5.0346
_cell_length_c                   13.7473
_cell_formula_units_Z            6
_cell_volume                     301.771
_database_code_amcsd             0017731
_exptl_crystal_density_diffrn    5.272
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9015964
The new mineral challacolloite, KPb2Cl5, the natural occurrence of a technically known laser material
Schluter, J.; Pohl, D.; Britvin, S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 182 (2005) 95–101; doi:10.1127/0077-7757/2005/0033

data_9015965
_publ_section_title
;
 The new mineral challacolloite, KPb2Cl5, the natural occurrence of a
 technically known laser material
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.1127/0077-7757/2005/0033
_journal_volume                  182
_journal_year                    2005
_chemical_compound_source
'Challacollo silver mine, Iquique, Atacama desert, Chile'
_chemical_formula_sum            'Cl5 K Pb2'
_chemical_name_mineral           Challacolloite
_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                 90.153
_cell_angle_gamma                90
_cell_length_a                   8.864
_cell_length_b                   7.932
_cell_length_c                   12.491
_cell_formula_units_Z            4
_cell_volume                     878.230
_database_code_amcsd             0019134
_exptl_crystal_density_diffrn    4.771
_cod_original_formula_sum        'K Pb2 Cl5'
_cod_database_code               9015965
The crystal structure of tricalcium aluminate, Ca3Al2O6
Mondal, P.; Jeffery, J. W,; Acta Crystallographica, Section B 31 (1975) 689–697; doi:10.1107/S0567740875003639

data_9015966
_publ_section_title
;
 The crystal structure of tricalcium aluminate, Ca3Al2O6
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              689
_journal_page_last               697
_journal_paper_doi               10.1107/S0567740875003639
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Al2 Ca3 O6'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.263
_cell_length_b                   15.263
_cell_length_c                   15.263
_cell_formula_units_Z            24
_cell_volume                     3555.656
_database_code_amcsd             0009531
_exptl_crystal_density_diffrn    3.028
_cod_duplicate_entry             1000039
_cod_original_cell_volume        3555.655
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Ca3 Al2 O6'
_cod_database_code               9015966
_amcsd_formula_title             Al6Ca9O18
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run LT9
Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.; European Journal of Mineralogy 24 (2012) 839–850; doi:10.1127/0935-1221/2012/0024-2228

data_9015967
_publ_section_title
;
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run LT9
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              839
_journal_page_last               850
_journal_paper_doi               10.1127/0935-1221/2012/0024-2228
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'synthetic at 4.0 GPa and 600 deg C for 24 hours'
_chemical_formula_sum            'Cr H2 O2'
_chemical_name_mineral           Guyanaite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.8623
_cell_length_b                   4.2972
_cell_length_c                   2.9567
_cell_formula_units_Z            2
_cell_volume                     61.778
_database_code_amcsd             0019392
_exptl_crystal_density_diffrn    4.624
_cod_original_formula_sum        'Cr O2 H2'
_cod_database_code               9015967
Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5
Shi, Y.; Liang, J. K.; Zhang, H.; Yang, J. L.; Zhuang, W. D.; Rao, G. H.; Journal of Alloys and Compounds 259 (1997) 163–169; doi:

data_9015968
_publ_section_title
;
 Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              163
_journal_page_last               169
_journal_volume                  259
_journal_year                    1997
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Nd O5 Si'
_chemical_name_mineral           Stillwellite-(Nd)
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.8035
_cell_length_b                   6.8035
_cell_length_c                   6.6487
_cell_formula_units_Z            3
_cell_volume                     266.521
_database_code_amcsd             0018729
_exptl_crystal_density_diffrn    4.918
_cod_original_formula_sum        'Nd B Si O5'
_cod_database_code               9015968
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 218 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9015969
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 218 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9644
_cell_length_b                   8.0057
_cell_length_c                   5.7805
_cell_formula_units_Z            4
_cell_volume                     229.737
_database_code_amcsd             0017835
_exptl_crystal_density_diffrn    2.894
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9015969
Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican sandstones (Brittany, France): Structure and crystal chemistry Note: sample musc_4
Mesto, E.; Scordari, F.; Lacalamita, M.; Schingaro, E.; American Mineralogist 97 (2012) 1460–1468; doi:10.2138/am.2012.4023

data_9015970
_publ_section_title
;
 Tobelite and NH4+ -rich muscovite single crystals from Ordovician Armorican
 sandstones (Brittany, France): Structure and crystal chemistry
 Note: sample musc_4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1460
_journal_page_last               1468
_journal_paper_doi               10.2138/am.2012.4023
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Ordovician Armorican sandstones, Brittany, France'
_chemical_formula_sum
'Al2.73 Ba0.01 H2.86 K0.465 N0.36 Na0.03 O11.236 Si3.128'
_chemical_name_mineral           Muscovite
_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                 100.113
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.027
_cell_length_b                   5.1999
_cell_length_c                   20.616
_cell_volume                     952.670
_database_code_amcsd             0019256
_exptl_crystal_density_diffrn    2.576
_cod_original_formula_sum
'K.465 Na.03 Ba.01 N.36 H2.86 Al2.73 Si3.128 O11.236'
_cod_database_code               9015970
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 240 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_9015971
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F39, disordered at 1000 C for 24 h, then ordered at 750 C
 Annealing time = 240 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            'Al1.608 Fe0.389 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                   8.1477
_cell_length_b                   8.1477
_cell_length_c                   8.1477
_cell_formula_units_Z            8
_cell_volume                     540.885
_database_code_amcsd             0019306
_exptl_crystal_density_diffrn    3.768
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.608 Mg1.001 Fe.389 O4'
_cod_database_code               9015971