LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, H2Ta2O6, and HTaWO6*H2 O _cod_database_code 1001217
Groult, D.; Pannetier; Raveau, B.; Journal of Solid State Chemistry 41 (1982) 277–285; doi:10.1016/0022-4596(82)90147-5

data_9016005
_publ_section_title
;
 Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
 H2Ta2O6, and HTaWO6*H2 O
 _cod_database_code 1001217
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              277
_journal_page_last               285
_journal_paper_doi               10.1016/0022-4596(82)90147-5
_journal_volume                  41
_journal_year                    1982
_chemical_formula_sum            'D0.2 H0.8 O3 Ta'
_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                   10.6106
_cell_length_b                   10.6106
_cell_length_c                   10.6106
_cell_formula_units_Z            16
_cell_volume                     1194.593
_database_code_amcsd             0013472
_exptl_crystal_density_diffrn    5.119
_cod_duplicate_entry             1001217
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ta D.2 H.8 O3'
_cod_database_code               9016005
_amcsd_formula_title             D1.4H1.6Ta2O6
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_9016006
_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            'Ce O6 Ta Ti'
_chemical_name_mineral           Tantalaeschynite-(Ce)
_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                   10.9694
_cell_length_b                   7.5288
_cell_length_c                   5.3829
_cell_formula_units_Z            4
_cell_volume                     444.554
_database_code_amcsd             0018924
_exptl_crystal_density_diffrn    6.947
_cod_original_formula_sum        'Ce (Ta Ti) O6'
_cod_database_code               9016006
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 = 339,180 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_9016007
_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 = 339,180 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.46 Fe0.54 Mg1.002 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                   8.1706
_cell_length_b                   8.1706
_cell_length_c                   8.1706
_cell_formula_units_Z            8
_cell_volume                     545.459
_database_code_amcsd             0019322
_exptl_crystal_density_diffrn    3.846
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.46 Mg1.002 Fe.54 O4'
_cod_database_code               9016007
Die Kristallstruktur von Yttriumvanadat _cod_database_code 1011156
Broch, E.; Zeitschrift fur Physikalische Chemie B 20 (1933) 345–350; doi:

data_9016008
_publ_section_title
;
 Die Kristallstruktur von Yttriumvanadat
 _cod_database_code 1011156
;
_journal_name_full               'Zeitschrift fur Physikalische Chemie B'
_journal_page_first              345
_journal_page_last               350
_journal_volume                  20
_journal_year                    1933
_chemical_formula_sum            'O2 V Y'
_chemical_name_mineral           Wakefieldite-(Y)
_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                   7.126
_cell_length_b                   7.126
_cell_length_c                   6.179
_cell_formula_units_Z            16
_cell_volume                     313.769
_database_code_amcsd             0018037
_exptl_crystal_density_diffrn    14.551
_cod_duplicate_entry             1011156
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Y V O2'
_cod_database_code               9016008
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 5.7 GPa
Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.; Solid State Sciences 6 (2004) 673–678; doi:10.1016/j.solidstatesciences.2004.03.027

data_9016009
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 5.7 GPa
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1016/j.solidstatesciences.2004.03.027
_journal_volume                  6
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_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                   6.7108
_cell_length_b                   6.7108
_cell_length_c                   4.688
_cell_formula_units_Z            2
_cell_volume                     182.838
_database_code_amcsd             0019674
_exptl_crystal_density_diffrn    6.602
_cod_database_code               9016009
Hydrothermal synthesis and thermal stability of natural mineral lindgrenite Note: atomic coordinates transformed to standard setting
Bao, R. L.; Kong, Z. P.; Cu, M.; Yue, B.; Weng, L. H.; He, H. Y.; Chemical Research in Chinese Universities 22 (2006) 679–683; doi:10.1016/S1005-9040(06)60189-X

data_9016010
_publ_section_title
;
 Hydrothermal synthesis and thermal stability of natural mineral lindgrenite
 Note: atomic coordinates transformed to standard setting
;
_journal_name_full               'Chemical Research in Chinese Universities'
_journal_page_first              679
_journal_page_last               683
_journal_paper_doi               10.1016/S1005-9040(06)60189-X
_journal_volume                  22
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 H2 Mo2 O10'
_chemical_name_mineral           Lindgrenite
_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                 98.535
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3867
_cell_length_b                   14.001
_cell_length_c                   5.6010
_cell_volume                     417.745
_database_code_amcsd             0018341
_exptl_crystal_density_diffrn    4.329
_cod_original_formula_sum        'Mo2 Cu3 O10 H2'
_cod_database_code               9016010
Crystal structure of a silver phosphate-tellurate: Te(OH)6(Ag2HPO4)2 _cod_database_code 1007045
Durif, A.; Averbuch-Pouchot M; Zeitschrift fur Anorganische und Allgemeine Chemie 472 (1981) 129–132; doi:

data_9016011
_publ_section_title
;
 Crystal structure of a silver phosphate-tellurate: Te(OH)6(Ag2HPO4)2
 _cod_database_code 1007045
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              129
_journal_page_last               132
_journal_volume                  472
_journal_year                    1981
_chemical_formula_sum            'Ag4 O14 P2 Te'
_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                 119.89
_cell_angle_gamma                90
_cell_length_a                   5.950
_cell_length_b                   20.52
_cell_length_c                   5.829
_cell_formula_units_Z            2
_cell_volume                     617.020
_database_code_amcsd             0015785
_exptl_crystal_density_diffrn    4.548
_cod_duplicate_entry             1007045
_cod_original_formula_sum        'Te Ag4 P2 O14'
_cod_database_code               9016011
_amcsd_formula_title             Te(OH)6(Ag2HPO4)2
The crystal structures of 2M1 phengite and 2M1 muscovite Note: sample 2M1 phengite
Guven, N.; Zeitschrift fur Kristallographie 134 (1971) 196–212; doi:

data_9016012
_publ_section_title
;
 The crystal structures of 2M1 phengite and 2M1 muscovite
 Note: sample 2M1 phengite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              196
_journal_page_last               212
_journal_volume                  134
_journal_year                    1971
_chemical_compound_source        'Tiburon Peninsula, California, USA'
_chemical_formula_sum
'Al2.038 Ba0.01 Ca0.02 Fe0.14 H2 K0.87 Mg0.5 Na0.07 O12 Si3.392 Ti0.01'
_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                 95.769
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2112
_cell_length_b                   9.0383
_cell_length_c                   19.9473
_cell_volume                     934.767
_database_code_amcsd             0019601
_exptl_crystal_density_diffrn    2.860
_cod_original_formula_sum
'K.87 Na.07 Ba.01 Ca.02 Al2.038 Mg.5 Ti.01 Fe.14 Si3.392 O12 H2'
_cod_database_code               9016012
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 0.0001 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_9016013
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 0.0001 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            'Ca2 Fe2 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                   5.4271
_cell_length_b                   14.7619
_cell_length_c                   5.5978
_cell_formula_units_Z            4
_cell_volume                     448.464
_database_code_amcsd             0017759
_exptl_crystal_density_diffrn    4.026
_cod_database_code               9016013
Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium _cod_database_code 1008184
Averbuch-Pouchot M; Journal of Solid State Chemistry 41 (1982) 262–265; doi:10.1016/0022-4596(82)90144-X

data_9016014
_publ_section_title
;
 Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium
 _cod_database_code 1008184
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              262
_journal_page_last               265
_journal_paper_doi               10.1016/0022-4596(82)90144-X
_journal_volume                  41
_journal_year                    1982
_chemical_formula_sum            'I K2 O7 S'
_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                 93.16
_cell_angle_gamma                90
_cell_length_a                   13.84
_cell_length_b                   7.173
_cell_length_c                   7.443
_cell_formula_units_Z            4
_cell_volume                     737.775
_database_code_amcsd             0016121
_exptl_crystal_density_diffrn    3.143
_cod_duplicate_entry             1008184
_cod_original_formula_sum        'I K2 S O7'
_cod_database_code               9016014
_amcsd_formula_title             'H2 I2 K4 O14 S2'
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn) _cod_database_code 1001824
Ouchetto, K.; Archaimbault, F.; Choisnet, J.; Et-Tabirou M; Materials Chemistry and Physics 51 (1997) 117–124; doi:10.1016/S0254-0584(97)80279-9

data_9016015
_publ_section_title
;
 New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
 (Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
 _cod_database_code 1001824
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              117
_journal_page_last               124
_journal_paper_doi               10.1016/S0254-0584(97)80279-9
_journal_volume                  51
_journal_year                    1997
_chemical_formula_sum            'La Ni0.5 O3 Pt0.5'
_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                 90.
_cell_angle_gamma                90
_cell_length_a                   5.5741
_cell_length_b                   5.6304
_cell_length_c                   7.8973
_cell_formula_units_Z            4
_cell_volume                     247.852
_database_code_amcsd             0014211
_exptl_crystal_density_diffrn    8.409
_cod_duplicate_entry             1001824
_cod_original_formula_sum        'La (Ni.5 Pt.5) O3'
_cod_database_code               9016015
_amcsd_formula_title             'La2 Ni O6 Pt'
Zur Struktur von LiP und KSb
Honle, W.; Schnering, H. G.; Zeitschrift fur Kristallographie 155 (1981) 307–314; doi:

data_9016016
_publ_section_title
;
 Zur Struktur von LiP und KSb
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              307
_journal_page_last               314
_journal_volume                  155
_journal_year                    1981
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K Sb'
_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                 118.15
_cell_angle_gamma                90
_cell_length_a                   5.582
_cell_length_b                   4.940
_cell_length_c                   10.255
_cell_formula_units_Z            8
_cell_volume                     249.334
_database_code_amcsd             0018971
_exptl_crystal_density_diffrn    8.570
_cod_database_code               9016016
_amcsd_formula_title             KSb
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 = 398 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_9016017
_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 = 398 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                   4.9731
_cell_length_b                   8.0384
_cell_length_c                   5.8236
_cell_formula_units_Z            4
_cell_volume                     232.803
_database_code_amcsd             0017844
_exptl_crystal_density_diffrn    2.856
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9016017
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 4.511 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_9016018
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.55
 Note: P = 4.511 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            'Al0.55 Ca2 Fe1.45 O5'
_chemical_name_mineral           Brownmillerite
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I -2b 2'
_symmetry_space_group_name_H-M   'I 2 m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.324
_cell_length_b                   14.4380
_cell_length_c                   5.5450
_cell_formula_units_Z            4
_cell_volume                     426.233
_database_code_amcsd             0017774
_exptl_crystal_density_diffrn    3.989
_cod_original_formula_sum        'Ca2 (Fe1.45 Al.55) O5'
_cod_database_code               9016018
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 0.67 GPa
Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.; American Mineralogist 95 (2010) 1042–1051; doi:10.2138/am.2010.3429

data_9016019
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: DL5 P = 0.67 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1051
_journal_paper_doi               10.2138/am.2010.3429
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'an alkaline basalt of Deadman Lake Volcanic Area, USA'
_chemical_formula_sum            'Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8'
_chemical_name_mineral           Kaersutite
_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                90.00
_cell_angle_beta                 105.330
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.841
_cell_length_b                   18.019
_cell_length_c                   5.307
_cell_volume                     907.580
_database_code_amcsd             0005068
_exptl_crystal_density_diffrn    3.262
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2'
_cod_database_code               9016019
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 = 578 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_9016020
_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 = 578 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           Calcite
_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                   4.9767
_cell_length_b                   4.9767
_cell_length_c                   17.3610
_cell_formula_units_Z            6
_cell_volume                     372.382
_database_code_amcsd             0017863
_exptl_crystal_density_diffrn    2.678
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9016020
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 750 C Annealing time = 17,520 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_9016021
_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 750 C
 Annealing time = 17,520 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            'Al1.455 Fe0.545 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                   8.1706
_cell_length_b                   8.1706
_cell_length_c                   8.1706
_cell_formula_units_Z            8
_cell_volume                     545.459
_database_code_amcsd             0019347
_exptl_crystal_density_diffrn    3.848
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.455 Mg Fe.545) O4'
_cod_database_code               9016021