LMucko/crystallography-open-database huggingface dataset:
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a potential nuclear waste disposal phase T = 296 deg C, crystal 2
Comodi P; Zanazzi P F; Weiss Z; Rieder M; Drabek M; American Mineralogist 84 (1999) 325–332; doi:

data_9002143
_publ_section_title
;
 "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
 potential nuclear waste disposal phase
 T = 296 deg C, crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              325
_journal_page_last               332
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.04 Cs0.89 Fe3.92 O12 Si3.04'
_chemical_name_mineral           Tetra-ferri-annite
_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                 99.60
_cell_angle_gamma                90
_cell_length_a                   5.480
_cell_length_b                   9.500
_cell_length_c                   10.907
_cell_formula_units_Z            2
_cell_volume                     559.867
_diffrn_ambient_temperature      569.15
_cod_original_formula_sum        'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cod_database_code               9002143
_database_code_amcsd 0002205
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a potential nuclear waste disposal phase T = 435 deg C, crystal 2
Comodi P; Zanazzi P F; Weiss Z; Rieder M; Drabek M; American Mineralogist 84 (1999) 325–332; doi:

data_9002144
_publ_section_title
;
 "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
 potential nuclear waste disposal phase
 T = 435 deg C, crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              325
_journal_page_last               332
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.04 Cs0.89 Fe3.92 O12 Si3.04'
_chemical_name_mineral           Tetra-ferri-annite
_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                 99.54
_cell_angle_gamma                90
_cell_length_a                   5.476
_cell_length_b                   9.502
_cell_length_c                   10.954
_cell_formula_units_Z            2
_cell_volume                     562.086
_diffrn_ambient_temperature      708.15
_cod_original_formula_sum        'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cod_database_code               9002144
_database_code_amcsd 0002206
"Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a potential nuclear waste disposal phase T = 23 deg C after heating, crystal 2
Comodi P; Zanazzi P F; Weiss Z; Rieder M; Drabek M; American Mineralogist 84 (1999) 325–332; doi:

data_9002145
_publ_section_title
;
 "Cs-tetra-ferri-annite:" High-pressure and high-temperature behavior of a
 potential nuclear waste disposal phase
 T = 23 deg C after heating, crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              325
_journal_page_last               332
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.04 Cs0.89 Fe3.92 O12 Si3.04'
_chemical_name_mineral           Tetra-ferri-annite
_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                 99.77
_cell_angle_gamma                90
_cell_length_a                   5.452
_cell_length_b                   9.448
_cell_length_c                   10.786
_cell_formula_units_Z            2
_cell_volume                     547.534
_diffrn_ambient_temperature      296.15
_cod_original_formula_sum        'Cs.89 Fe3.92 Si3.04 Al.04 O12'
_cod_database_code               9002145
_database_code_amcsd 0002207
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 0, in air
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002146
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 0,  in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.31900
_cell_angle_beta                 116.36800
_cell_angle_gamma                92.04000
_cell_length_a                   7.83860
_cell_length_b                   12.37330
_cell_length_c                   6.80740
_cell_formula_units_Z            4
_cell_volume                     589.172
_database_code_amcsd             0002214
_exptl_crystal_density_diffrn    2.774
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002146
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 0.00 GPa, in cell
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002147
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 0.00 GPa, in cell
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.311
_cell_angle_beta                 116.363
_cell_angle_gamma                92.043
_cell_length_a                   7.8389
_cell_length_b                   12.3715
_cell_length_c                   6.8065
_cell_formula_units_Z            4
_cell_volume                     589.062
_database_code_amcsd             0002215
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    2.774
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002147
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 0.88 GPa
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002148
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 0.88 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.332
_cell_angle_beta                 116.347
_cell_angle_gamma                92.094
_cell_length_a                   7.7852
_cell_length_b                   12.3419
_cell_length_c                   6.7917
_cell_formula_units_Z            4
_cell_volume                     582.380
_database_code_amcsd             0002216
_diffrn_ambient_pressure         8.8e+05
_exptl_crystal_density_diffrn    2.806
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002148
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 1.89 GPa
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002149
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 1.89 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.364
_cell_angle_beta                 116.316
_cell_angle_gamma                92.145
_cell_length_a                   7.7231
_cell_length_b                   12.3038
_cell_length_c                   6.7719
_cell_formula_units_Z            4
_cell_volume                     574.357
_database_code_amcsd             0002217
_diffrn_ambient_pressure         1.89e+06
_exptl_crystal_density_diffrn    2.845
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002149
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 3.00 GPa
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002150
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 3.00 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.374
_cell_angle_beta                 116.256
_cell_angle_gamma                92.222
_cell_length_a                   7.6589
_cell_length_b                   12.2675
_cell_length_c                   6.7512
_cell_formula_units_Z            4
_cell_volume                     566.393
_database_code_amcsd             0002218
_diffrn_ambient_pressure         3e+06
_exptl_crystal_density_diffrn    2.885
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002150
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 3.64 GPa
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002151
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 3.64 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.392
_cell_angle_beta                 116.222
_cell_angle_gamma                92.263
_cell_length_a                   7.6194
_cell_length_b                   12.2465
_cell_length_c                   6.7389
_cell_formula_units_Z            4
_cell_volume                     561.599
_database_code_amcsd             0002219
_diffrn_ambient_pressure         3.64e+06
_exptl_crystal_density_diffrn    2.910
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002151
Compressibility mechanisms of alkali feldspars: New data from reedmergnerite Sample from Joseph Smith #1 mine, Duchesne Co., Utah, NMNH 140 P = 4.68 GPa
Downs, R. T.; Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; American Mineralogist 84 (1999) 333–340; doi:

data_9002152
_publ_section_title
;
 Compressibility mechanisms of alkali feldspars: New data from reedmergnerite
 Sample from Joseph Smith #1 mine, Duchesne Co., Utah,  NMNH 140
 P = 4.68 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              333
_journal_page_last               340
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'B Na O8 Si3'
_chemical_name_mineral           Reedmergnerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.373
_cell_angle_beta                 116.303
_cell_angle_gamma                92.345
_cell_length_a                   7.5790
_cell_length_b                   12.2200
_cell_length_c                   6.7141
_cell_formula_units_Z            4
_cell_volume                     554.920
_database_code_amcsd             0002220
_diffrn_ambient_pressure         4.68e+06
_exptl_crystal_density_diffrn    2.945
_cod_original_formula_sum        'Na B Si3 O8'
_cod_database_code               9002152
Schubnelite, [Fe(VO4)(H2O)], a novel heteropolyhedral framework mineral
Schindler, M.; Hawthorne, F. C.; American Mineralogist 84 (1999) 665–668; doi:

data_9002153
_publ_section_title
;
 Schubnelite, [Fe(VO4)(H2O)], a novel heteropolyhedral framework mineral
;
_journal_name_full               'American Mineralogist'
_journal_page_first              665
_journal_page_last               668
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe H2 O5 V'
_chemical_name_mineral           Schubnelite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.02
_cell_angle_beta                 95.10
_cell_angle_gamma                107.31
_cell_length_a                   5.466
_cell_length_b                   5.675
_cell_length_c                   6.610
_cell_formula_units_Z            2
_cell_volume                     189.804
_database_code_amcsd             0002221
_exptl_crystal_density_diffrn    3.304
_cod_original_formula_sum        'Fe V H2 O5'
_cod_database_code               9002153
Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)]
Effenberger, H.; Paar, W. H.; Topa, D.; Culetto, F. J.; Giester, G.; American Mineralogist 84 (1999) 669–676; doi:

data_9002154
_publ_section_title
;
 Toward the crystal structure of nagyagite, [Pb(Pb,Sb)S2][(Au,Te)]
;
_journal_name_full               'American Mineralogist'
_journal_page_first              669
_journal_page_last               676
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Au0.133 Pb1.476 S2 Sb0.524 Te0.867'
_chemical_name_mineral           Nagyagite
_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                 95.42
_cell_angle_gamma                90
_cell_length_a                   4.220
_cell_length_b                   4.176
_cell_length_c                   15.119
_cell_formula_units_Z            2
_cell_volume                     265.247
_database_code_amcsd             0002222
_exptl_crystal_density_diffrn    7.144
_cod_original_formula_sum        'Pb1.476 Sb.524 (Te.867 Au.133) S2'
_cod_database_code               9002154
Single-crystal structure refinement of synthetic K-substituted potassic richterite, K(KCa)Mg5Si8O22(OH)2
Yang, H.; Konzett, J.; Prewitt, C. T.; Fei, Y.; American Mineralogist 84 (1999) 681–684; doi:

data_9002155
_publ_section_title
;
 Single-crystal structure refinement of synthetic K-substituted potassic
 richterite, K(KCa)Mg5Si8O22(OH)2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               684
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca H2 K3 Mg5 O24 Si8'
_chemical_name_mineral           Richterite
_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                 105.514
_cell_angle_gamma                90
_cell_length_a                   10.1926
_cell_length_b                   18.1209
_cell_length_c                   5.2736
_cell_formula_units_Z            2
_cell_volume                     938.540
_database_code_amcsd             0002223
_exptl_crystal_density_diffrn    3.148
_cod_original_formula_sum        'Mg5 Ca K3 Si8 H2 O24'
_cod_database_code               9002155
The crystal chemistry of sogdianite, a milarite-group mineral Note: U(1,2) for Li2 changed to match symmetry constraints.
Cooper, M. A.; Hawthorne, F. C.; Grew, E. S.; American Mineralogist 84 (1999) 764–768; doi:

data_9002156
_publ_section_title
;
 The crystal chemistry of sogdianite, a milarite-group mineral
 Note: U(1,2) for Li2 changed to match symmetry constraints.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              764
_journal_page_last               768
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        'Dara-i-Pioz, Tadjikistan'
_chemical_formula_sum
'Al0.13 Fe0.73 K Li3 Na1.7 O30 Si12 Ti0.38 Zr0.76'
_chemical_name_mineral           Sogdianite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.053
_cell_length_b                   10.053
_cell_length_c                   14.211
_cell_volume                     1243.789
_database_code_amcsd             0002224
_exptl_crystal_density_diffrn    2.798
_cod_original_formula_sum
'(Zr.76 Fe.73 Ti.38 Al.13) Na1.7 K Si12 Li3 O30'
_cod_database_code               9002156
Crystal-structure refinement of a rubidian cesian phlogopite
Hawthorne, F. C.; Teertstra, D. K.; Cerny, P.; American Mineralogist 84 (1999) 778–781; doi:

data_9002157
_publ_section_title
;
 Crystal-structure refinement of a rubidian cesian phlogopite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              778
_journal_page_last               781
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum
'Al1.46 Cs0.233 Fe1.04 H2 K0.462 Li0.3 Mg1.24 O12 Rb0.275 Si2.92 Ti0.04'
_chemical_name_mineral           Phlogopite
_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                 100.04
_cell_angle_gamma                90
_cell_length_a                   5.343
_cell_length_b                   9.247
_cell_length_c                   10.397
_cell_formula_units_Z            2
_cell_volume                     505.815
_database_code_amcsd             0002225
_exptl_crystal_density_diffrn    3.153
_cod_original_formula_sum
'K.462 Rb.275 Cs.233 Mg1.24 Fe1.04 Li.3 Al1.46 Ti.04 Si2.92 H2 O12'
_cod_database_code               9002157
In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 25 C
Gualtieri, A.; Venturelli, P.; American Mineralogist 84 (1999) 895–904; doi:

data_9002158
_publ_section_title
;
 In situ study of the goethite-hematite phase transformation by real time
 synchrotron powder diffraction
 Sample at T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              895
_journal_page_last               904
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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                   9.9134
_cell_length_b                   3.0128
_cell_length_c                   4.5800
_cell_volume                     136.791
_database_code_amcsd             0002226
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.314
_cod_database_code               9002158
In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 156 C
Gualtieri, A.; Venturelli, P.; American Mineralogist 84 (1999) 895–904; doi:

data_9002159
_publ_section_title
;
 In situ study of the goethite-hematite phase transformation by real time
 synchrotron powder diffraction
 Sample at T = 156 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              895
_journal_page_last               904
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Goethite
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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                   9.9189
_cell_length_b                   3.0148
_cell_length_c                   4.5835
_cell_volume                     137.063
_database_code_amcsd             0002227
_diffrn_ambient_temperature      429.15
_exptl_crystal_density_diffrn    4.306
_cod_database_code               9002159
In situ study of the goethite-hematite phase transformation by real time synchrotron powder diffraction Sample at T = 313 C
Gualtieri, A.; Venturelli, P.; American Mineralogist 84 (1999) 895–904; doi:

data_9002160
_publ_section_title
;
 In situ study of the goethite-hematite phase transformation by real time
 synchrotron powder diffraction
 Sample at T = 313 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              895
_journal_page_last               904
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe1.76 H0.06 O3'
_chemical_name_mineral           Hematite-proto
_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'
_symmetry_space_group_name_H-M   'R -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.0145
_cell_length_b                   5.0145
_cell_length_c                   13.692
_cell_volume                     298.162
_database_code_amcsd             0002228
_diffrn_ambient_temperature      586.15
_exptl_crystal_density_diffrn    4.890
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe1.76 H.06 O3'
_cod_database_code               9002160