LMucko/crystallography-open-database huggingface dataset:
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnCr2O4, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006264
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnCr2O4, preferred
 values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Cr2 O4 Zn'
_chemical_name_mineral           Zincochromite
_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                   8.3271
_cell_length_b                   8.3271
_cell_length_c                   8.3271
_cell_formula_units_Z            8
_cell_volume                     577.406
_database_code_amcsd             0007846
_exptl_crystal_density_diffrn    5.369
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Cr2 O4'
_cod_database_code               9006264
_cod_duplicate_entry 9006188
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: Fe3O4, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006265
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: Fe3O4, preferred
 values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_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                   8.3970
_cell_length_b                   8.3970
_cell_length_c                   8.3970
_cell_formula_units_Z            8
_cell_volume                     592.069
_database_code_amcsd             0007847
_exptl_crystal_density_diffrn    5.195
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9006265
_cod_duplicate_entry 9006242
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/900, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006266
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/900,
 preferred values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.0865
_cell_length_b                   8.0865
_cell_length_c                   8.0865
_cell_formula_units_Z            8
_cell_volume                     528.788
_database_code_amcsd             0007848
_exptl_crystal_density_diffrn    4.606
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9006266
_cod_duplicate_entry 9006211
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1000, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006267
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1000,
 preferred values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.0867
_cell_length_b                   8.0867
_cell_length_c                   8.0867
_cell_formula_units_Z            8
_cell_volume                     528.827
_database_code_amcsd             0007849
_exptl_crystal_density_diffrn    4.606
_cod_original_cell_volume        528.828
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9006267
_cod_duplicate_entry 9006212
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1100, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006268
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1100,
 preferred values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.0871
_cell_length_b                   8.0871
_cell_length_c                   8.0871
_cell_formula_units_Z            8
_cell_volume                     528.906
_database_code_amcsd             0007850
_exptl_crystal_density_diffrn    4.605
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9006268
_cod_duplicate_entry 9006213
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1200, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006269
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1200,
 preferred values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.0976
_cell_length_b                   8.0976
_cell_length_c                   8.0976
_cell_formula_units_Z            8
_cell_volume                     530.969
_database_code_amcsd             0007851
_exptl_crystal_density_diffrn    4.587
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9006269
Crystal structures and cation distributions in simple spinels from powder XRD structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1300, preferred values of spinel structure parameters
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006270
_publ_section_title
;Crystal structures and cation distributions in simple spinels from powder XRD
 structural refinements: MgCr2O4, ZnCr2O4, Fe3O4 and the temperature
 dependence of the cation distribution in ZnAl2O4 Sample: ZnAl2O4/1300,
 preferred values of spinel structure parameters
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              541
_journal_page_last               555
_journal_paper_doi               10.1007/BF00211850
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_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                   8.0884
_cell_length_b                   8.0884
_cell_length_c                   8.0884
_cell_formula_units_Z            8
_cell_volume                     529.161
_database_code_amcsd             0007852
_exptl_crystal_density_diffrn    4.603
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9006270
Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Crystallized from glass at 1050 degrees C for 18 hours Note: tetrahedral site occupancies are assumed, not refined
Schwartz, K. B.; Leong, D. B.; McConville, R. L.; Physics and Chemistry of Minerals 20 (1994) 563–574; doi:10.1007/BF00211852

data_9006271
_publ_section_title
;
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Crystallized from glass at 1050 degrees C for 18 hours
 Note: tetrahedral site occupancies are assumed, not refined
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              563
_journal_page_last               574
_journal_paper_doi               10.1007/BF00211852
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al4 Mg2 O18 Si5'
_chemical_name_mineral           Indialite
_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_length_a                   9.7815
_cell_length_b                   9.7815
_cell_length_c                   9.3537
_cell_formula_units_Z            2
_cell_volume                     775.042
_database_code_amcsd             0007853
_exptl_crystal_density_diffrn    2.507
_cod_original_formula_sum        'Mg2 (Al4 Si5) O18'
_cod_database_code               9006271
Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Crystallized from glass at 1200 degrees C for 350 hours Note: tetrahedral site occupancies are assumed, not refined
Schwartz, K. B.; Leong, D. B.; McConville, R. L.; Physics and Chemistry of Minerals 20 (1994) 563–574; doi:10.1007/BF00211852

data_9006272
_publ_section_title
;
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Crystallized from glass at 1200 degrees C for 350 hours
 Note: tetrahedral site occupancies are assumed, not refined
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              563
_journal_page_last               574
_journal_paper_doi               10.1007/BF00211852
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al4 Mg2 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.047
_cell_length_b                   9.7315
_cell_length_c                   9.3463
_cell_volume                     1550.485
_database_code_amcsd             0007854
_exptl_crystal_density_diffrn    2.506
_cod_original_formula_sum        'Mg2 Al4 Si5 O18'
_cod_database_code               9006272
Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Synthesized in 2 at% bismuth oxide flux at 1000 C for 12 hours Note: tetrahedral site occupancies are assumed, not refined
Schwartz, K. B.; Leong, D. B.; McConville, R. L.; Physics and Chemistry of Minerals 20 (1994) 563–574; doi:10.1007/BF00211852

data_9006273
_publ_section_title
;
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 2 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              563
_journal_page_last               574
_journal_paper_doi               10.1007/BF00211852
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al4 Bi0.168 Mg2 O18 Si5'
_chemical_name_mineral           Indialite
_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_length_a                   9.7850
_cell_length_b                   9.7850
_cell_length_c                   9.3495
_cell_formula_units_Z            2
_cell_volume                     775.248
_database_code_amcsd             0007855
_exptl_crystal_density_diffrn    2.656
_exptl_crystal_thermal_history
'Synthesized in 2 at% bismuth oxide flux at 1000 C for 12 hours'
_cod_original_formula_sum        'Mg2 (Al4 Si5) O18 Bi.168'
_cod_database_code               9006273
Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours Note: tetrahedral site occupancies are assumed, not refined
Schwartz, K. B.; Leong, D. B.; McConville, R. L.; Physics and Chemistry of Minerals 20 (1994) 563–574; doi:10.1007/BF00211852

data_9006274
_publ_section_title
;
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              563
_journal_page_last               574
_journal_paper_doi               10.1007/BF00211852
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al4 Bi0.116 Mg2 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.0299
_cell_length_b                   9.7424
_cell_length_c                   9.3481
_cell_formula_units_Z            4
_cell_volume                     1550.963
_database_code_amcsd             0007856
_exptl_crystal_density_diffrn    2.609
_exptl_crystal_thermal_history
'Synthesized in 5 at% bismuth oxide flux at 1000 C for 12 hours'
_cod_original_formula_sum        'Mg2 Al4 Si5 O18 Bi.116'
_cod_database_code               9006274
Structural chemistry of synthetic cordierite: evidence for solid solutions and disordered compositional domains in Bi-flux-grown Mg-cordierites Sample: Synthesized in 10 at% bismuth oxide flux at 1000 C for 12 hours Note: tetrahedral site occupancies are assumed, not refined
Schwartz, K. B.; Leong, D. B.; McConville, R. L.; Physics and Chemistry of Minerals 20 (1994) 563–574; doi:10.1007/BF00211852

data_9006275
_publ_section_title
;
 Structural chemistry of synthetic cordierite: evidence for solid solutions
 and disordered compositional domains in Bi-flux-grown Mg-cordierites
 Sample: Synthesized in 10 at% bismuth oxide flux at 1000 C for 12 hours
 Note: tetrahedral site occupancies are assumed, not refined
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              563
_journal_page_last               574
_journal_paper_doi               10.1007/BF00211852
_journal_volume                  20
_journal_year                    1994
_chemical_formula_sum            'Al4 Bi0.144 Mg2 O18 Si5'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.0409
_cell_length_b                   9.7382
_cell_length_c                   9.3285
_cell_formula_units_Z            4
_cell_volume                     1548.043
_database_code_amcsd             0007857
_exptl_crystal_density_diffrn    2.639
_exptl_crystal_thermal_history
'Synthesized in 10 at% bismuth oxide flux at 1000 C for 12 hours'
_cod_original_formula_sum        'Mg2 Al4 Si5 O18 Bi.144'
_cod_database_code               9006275
Structure of Cr2SiO4 and possible metal-metal interactions in crystal and melt Sample: P3A, quenched from 37 kbar and 1600 deg C
Dollase, W. A.; Seifert, F.; O'Neill H St C; Physics and Chemistry of Minerals 21 (1994) 104–109; doi:

data_9006276
_publ_section_title
;Structure of Cr2SiO4 and possible metal-metal interactions in crystal and
 melt Sample: P3A, quenched from 37 kbar and 1600 deg C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              104
_journal_page_last               109
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.702
_cell_length_b                   11.169
_cell_length_c                   9.593
_cell_formula_units_Z            8
_cell_volume                     610.936
_database_code_amcsd             0007858
_exptl_crystal_density_diffrn    4.263
_exptl_crystal_pressure_history  'quenched from 37 kbar'
_exptl_crystal_thermal_history   'quenched from 37 kbar and 1600 deg C'
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006276
_amcsd_formula_title             Cr2SiO4
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: alm85
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006277
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: alm85
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al1.7 Fe3.3 O12 Si3'
_chemical_name_mineral           Almandine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.5546
_cell_length_b                   11.5546
_cell_length_c                   11.5546
_cell_formula_units_Z            8
_cell_volume                     1542.641
_database_code_amcsd             0007859
_exptl_crystal_density_diffrn    4.361
_cod_original_cell_volume        1542.640
_cod_original_formula_sum        'Fe3.3 Al1.7 Si3 O12'
_cod_database_code               9006277