LMucko/crystallography-open-database huggingface dataset:
Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4
Santoro A; Marezio M; Roth R S; Minor D; Journal of Solid State Chemistry 35 (1980) 167–175; doi:10.1016/0022-4596(80)90489-2

data_9009751
_publ_section_title
;
 Neutron powder diffraction study of the
 structures of CeTaO4, CeNbO4, and NdTaO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              167
_journal_page_last               175
_journal_paper_doi               10.1016/0022-4596(80)90489-2
_journal_volume                  35
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce Nb O4'
_chemical_name_mineral           'Beta - fergusonite-(Ce)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.60
_cell_angle_gamma                90
_cell_length_a                   5.5350
_cell_length_b                   11.3991
_cell_length_c                   5.1590
_cell_formula_units_Z            4
_cell_volume                     324.454
_diffrn_radiation_type           neutron
_diffrn_radiation_probe          neutron
_cod_database_code               9009751
_database_code_amcsd             0013406
Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4
Santoro, A.; Marezio, M.; Roth, R. S.; Minor, D.; Journal of Solid State Chemistry 35 (1980) 167–175; doi:10.1016/0022-4596(80)90489-2

data_9009752
_publ_section_title
;
 Neutron powder diffraction study of the
 structures of CeTaO4, CeNbO4, and NdTaO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              167
_journal_page_last               175
_journal_paper_doi               10.1016/0022-4596(80)90489-2
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     CeTaO4
_chemical_formula_sum            'Ce O4 Ta'
_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                 100.87
_cell_angle_gamma                90
_cell_length_a                   7.6161
_cell_length_b                   5.5254
_cell_length_c                   7.7588
_cell_formula_units_Z            4
_cell_volume                     320.648
_database_code_amcsd             0013407
_exptl_crystal_density_diffrn    7.976
_cod_original_formula_sum        'Ce Ta O4'
_cod_database_code               9009752
_amcsd_formula_title             CeTaO4
Neutron powder diffraction study of the structures of CeTaO4, CeNbO4, and NdTaO4
Santoro, A.; Marezio, M.; Roth, R. S.; Minor, D.; Journal of Solid State Chemistry 35 (1980) 167–175; doi:10.1016/0022-4596(80)90489-2

data_9009753
_publ_section_title
;
 Neutron powder diffraction study of the
 structures of CeTaO4, CeNbO4, and NdTaO4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              167
_journal_page_last               175
_journal_paper_doi               10.1016/0022-4596(80)90489-2
_journal_volume                  35
_journal_year                    1980
_chemical_formula_structural     NdTaO4
_chemical_formula_sum            'Nd O4 Ta'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.71
_cell_angle_gamma                90
_cell_length_a                   5.5115
_cell_length_b                   11.2320
_cell_length_c                   5.1112
_cell_formula_units_Z            4
_cell_volume                     314.840
_database_code_amcsd             0013408
_exptl_crystal_density_diffrn    8.211
_cod_original_formula_sum        'Nd Ta O4'
_cod_database_code               9009753
_amcsd_formula_title             NdTaO4
Calcium uranium titanate - a new pyrochlore
Dickson, F. J.; Hawkins, K. D.; White, T. J.; Journal of Solid State Chemistry 82 (1989) 146–150; doi:10.1016/0022-4596(89)90234-X

data_9009754
_publ_section_title
;
 Calcium uranium titanate - a new pyrochlore
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              146
_journal_page_last               150
_journal_paper_doi               10.1016/0022-4596(89)90234-X
_journal_volume                  82
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.92 O7 Ti1.99 U1.08'
_chemical_name_mineral           Betafite
_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                   10.1579
_cell_length_b                   10.1579
_cell_length_c                   10.1579
_cell_volume                     1048.122
_database_code_amcsd             0013665
_exptl_crystal_density_diffrn    6.353
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ca.92 U1.08) Ti1.99 O7'
_cod_database_code               9009754
_cell_formula_units_Z 8
Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Note: neutron data on a synthetic sample
Lafontaine, M. A.; LeBail, A.; Ferey, G.; Journal of Solid State Chemistry 85 (1990) 220–227; doi:10.1016/S0022-4596(05)80078-7

data_9009755
_publ_section_title
;
 Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog
 of volborthite; crystal structure determination from X-ray and neutron data;
 structural correlations
 Note: neutron data on a synthetic sample
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              220
_journal_page_last               227
_journal_paper_doi               10.1016/S0022-4596(05)80078-7
_journal_volume                  85
_journal_year                    1990
_chemical_formula_sum            'Cu3 H6 O11 V2'
_chemical_name_mineral           Volborthite
_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                 94.88
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.607
_cell_length_b                   5.864
_cell_length_c                   7.214
_cell_volume                     447.080
_exptl_crystal_density_diffrn    3.525
_cod_original_formula_sum        'Cu3 V2 O11 H6'
_cod_database_code               9009755
_cod_duplicate_entry 1000138
Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog of volborthite; crystal structure determination from X-ray and neutron data; structural correlations Note: X-ray data on a synthetic sample
Lafontaine, M. A.; LeBail, A.; Ferey, G.; Journal of Solid State Chemistry 85 (1990) 220–227; doi:10.1016/S0022-4596(05)80078-7

data_9009756
_publ_section_title
;
 Copper-containing minerals - I. Cu3V2O7(OH)2,2H2O: The synthetic homolog
 of volborthite; crystal structure determination from X-ray and neutron data;
 structural correlations
 Note: X-ray data on a synthetic sample
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              220
_journal_page_last               227
_journal_paper_doi               10.1016/S0022-4596(05)80078-7
_journal_volume                  85
_journal_year                    1990
_chemical_formula_sum            'Cu3 H6 O11 V2'
_chemical_name_mineral           Volborthite
_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                 94.90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.606
_cell_length_b                   5.874
_cell_length_c                   7.213
_cell_volume                     447.725
_exptl_crystal_density_diffrn    3.520
_cod_duplicate_entry             1000137
_cod_original_formula_sum        'Cu3 V2 O11 H6'
_cod_database_code               9009756
Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: GH Note: Cell parameters are an average of Table 1 values
Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.; Journal of Solid State Chemistry 90 (1991) 61–68; doi:10.1016/0022-4596(91)90172-E

data_9009757
_publ_section_title
;
 Structure refinement of TlCu7Se4 from X-ray powder profile data
 Sample: GH
 Note: Cell parameters are an average of Table 1 values
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_paper_doi               10.1016/0022-4596(91)90172-E
_journal_volume                  90
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu7 Se4 Tl'
_chemical_name_mineral           Crookesite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4500
_cell_length_b                   10.4500
_cell_length_c                   3.9708
_cell_formula_units_Z            2
_cell_volume                     433.621
_database_code_amcsd             0013691
_exptl_crystal_density_diffrn    7.391
_cod_original_formula_sum        'Tl Cu7 Se4'
_cod_database_code               9009757
Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: STADI/P Note: Cell parameters are an average of Table 1 values
Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.; Journal of Solid State Chemistry 90 (1991) 61–68; doi:10.1016/0022-4596(91)90172-E

data_9009758
_publ_section_title
;
 Structure refinement of TlCu7Se4 from X-ray powder profile data
 Sample: STADI/P
 Note: Cell parameters are an average of Table 1 values
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_paper_doi               10.1016/0022-4596(91)90172-E
_journal_volume                  90
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu7 Se4 Tl'
_chemical_name_mineral           Crookesite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4500
_cell_length_b                   10.4500
_cell_length_c                   3.9708
_cell_formula_units_Z            2
_cell_volume                     433.621
_database_code_amcsd             0013692
_exptl_crystal_density_diffrn    7.391
_cod_original_formula_sum        'Tl Cu7 Se4'
_cod_database_code               9009758
Structure refinement of TlCu7Se4 from X-ray powder profile data Sample: Single crystal
Eriksson, L.; Werner, P. E.; Berger, R.; Meerschaut, A.; Journal of Solid State Chemistry 90 (1991) 61–68; doi:10.1016/0022-4596(91)90172-E

data_9009759
_publ_section_title
;
 Structure refinement of TlCu7Se4 from X-ray powder profile data
 Sample: Single crystal
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               68
_journal_paper_doi               10.1016/0022-4596(91)90172-E
_journal_volume                  90
_journal_year                    1991
_chemical_compound_source        'Skrikerum mine, Sweden'
_chemical_formula_sum            'Cu6.52 Se4 Tl'
_chemical_name_mineral           Crookesite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.4445
_cell_length_b                   10.4445
_cell_length_c                   3.9378
_cell_formula_units_Z            2
_cell_volume                     429.565
_database_code_amcsd             0013693
_exptl_crystal_density_diffrn    7.225
_cod_original_formula_sum        'Tl Cu6.52 Se4'
_cod_database_code               9009759
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure
Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.; Journal of Solid State Chemistry 103 (1993) 105–113; doi:10.1006/jssc.1993.1083

data_9009760
_publ_section_title
;
 Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
 by Rietveld analysis of neutron powder diffraction data
 Note: gillespite structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              105
_journal_page_last               113
_journal_paper_doi               10.1006/jssc.1993.1083
_journal_volume                  103
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O10 Si4 Sr'
_chemical_name_mineral           Wesselsite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3707
_cell_length_b                   7.3707
_cell_length_c                   15.5904
_cell_formula_units_Z            4
_cell_volume                     846.983
_database_code_amcsd             0013766
_exptl_crystal_density_diffrn    3.321
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Sr Cu Si4 O10'
_cod_database_code               9009760
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure
Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.; Journal of Solid State Chemistry 103 (1993) 105–113; doi:10.1006/jssc.1993.1083

data_9009761
_publ_section_title
;
 Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
 by Rietveld analysis of neutron powder diffraction data
 Note: gillespite structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              105
_journal_page_last               113
_journal_paper_doi               10.1006/jssc.1993.1083
_journal_volume                  103
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba Cu O10 Si4'
_chemical_name_mineral           Effenbergerite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4409
_cell_length_b                   7.4409
_cell_length_c                   16.1367
_cell_formula_units_Z            4
_cell_volume                     893.441
_database_code_amcsd             0013767
_exptl_crystal_density_diffrn    3.518
_cod_original_cell_volume        893.440
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ba Cu Si4 O10'
_cod_database_code               9009761
Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba) by Rietveld analysis of neutron powder diffraction data Note: gillespite structure
Chakoumakos, B. C.; Fernandez-Baca J A; Boatner, L. A.; Journal of Solid State Chemistry 103 (1993) 105–113; doi:10.1006/jssc.1993.1083

data_9009762
_publ_section_title
;
 Refinement of the structures of the layer silicates MCuSi4O10 (M=Ca,Sr,Ba)
 by Rietveld analysis of neutron powder diffraction data
 Note: gillespite structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              105
_journal_page_last               113
_journal_paper_doi               10.1006/jssc.1993.1083
_journal_volume                  103
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Cu O10 Si4'
_chemical_name_mineral           Cuprorivaite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3017
_cell_length_b                   7.3017
_cell_length_c                   15.1303
_cell_formula_units_Z            4
_cell_volume                     806.669
_database_code_amcsd             0013768
_exptl_crystal_density_diffrn    3.096
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ca Cu Si4 O10'
_cod_database_code               9009762
Crystal structure refinements of zircon-type MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu) Locality: synthetic
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_9009763
_publ_section_title
;
 Crystal structure refinements of zircon-type
 MVO4 (M = Sc, Y, Ce, Pr, Nd, Tb, Ho, Er, Tm, Yb, Lu)
 Locality: synthetic
;
_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_formula_sum            'Ce O4 V'
_chemical_name_mineral           Wakefieldite-(Ce)
_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                   7.4004
_cell_length_b                   7.4004
_cell_length_c                   6.4972
_cell_formula_units_Z            4
_cell_volume                     355.825
_exptl_crystal_density_diffrn    4.761
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Ce V O4'
_cod_database_code               9009763
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_9009764
_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            'O4 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                   7.1183
_cell_length_b                   7.1183
_cell_length_c                   6.2893
_cell_formula_units_Z            4
_cell_volume                     318.680
_database_code_amcsd             0013802
_exptl_crystal_density_diffrn    4.249
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Y V O4'
_cod_database_code               9009764
Crystal structure of Bi2O4 with beta-Sb2O4-type structure
Kumada, N.; Kinomura, N.; Woodward, P. M.; Sleight, A. W.; Journal of Solid State Chemistry 116 (1995) 281–285; doi:10.1006/jssc.1995.1214

data_9009765
_publ_section_title
;
 Crystal structure of Bi2O4 with beta-Sb2O4-type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               285
_journal_paper_doi               10.1006/jssc.1995.1214
_journal_volume                  116
_journal_year                    1995
_chemical_formula_structural     Bi2O4
_chemical_formula_sum            'Bi O2'
_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                 107.838
_cell_angle_gamma                90
_cell_length_a                   12.3668
_cell_length_b                   5.1180
_cell_length_c                   5.5670
_cell_formula_units_Z            8
_cell_volume                     335.415
_database_code_amcsd             0013863
_exptl_crystal_density_diffrn    9.544
_cod_database_code               9009765
_amcsd_formula_title             Bi2O4
On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: Three-Phase Mixture FeO, T = 298 K
Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.; Journal of Solid State Chemistry 124 (1996) 52–57; doi:10.1006/jssc.1996.0206

data_9009766
_publ_section_title
;
 On the crystallographic and magnetic structures of
 nearly stoichiometric iron monoxide
 Sample: Three-Phase Mixture FeO, T = 298 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              52
_journal_page_last               57
_journal_paper_doi               10.1006/jssc.1996.0206
_journal_volume                  124
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O'
_chemical_name_mineral           Wuestite
_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                   4.326
_cell_length_b                   4.326
_cell_length_c                   4.326
_cell_formula_units_Z            4
_cell_volume                     80.958
_database_code_amcsd             0013893
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    5.895
_cod_database_code               9009766
On the crystallographic and magnetic structures of nearly stoichiometric iron monoxide Sample: Single-Phase Fe0.925O, T = 298 K
Fjellvag, H.; Gronvold, F.; Stolen, S.; Hauback, B. C.; Journal of Solid State Chemistry 124 (1996) 52–57; doi:10.1006/jssc.1996.0206

data_9009767
_publ_section_title
;
 On the crystallographic and magnetic structures of
 nearly stoichiometric iron monoxide
 Sample: Single-Phase Fe0.925O, T = 298 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              52
_journal_page_last               57
_journal_paper_doi               10.1006/jssc.1996.0206
_journal_volume                  124
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.925 O'
_chemical_name_mineral           Wuestite
_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                   4.3064
_cell_length_b                   4.3064
_cell_length_c                   4.3064
_cell_formula_units_Z            4
_cell_volume                     79.863
_database_code_amcsd             0013894
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    5.627
_cod_original_formula_sum        'Fe.925 O'
_cod_database_code               9009767