LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of pumpellyite: An X-ray Rietveld refinement and 57Fe Mossbauer study Note: sample BU
Artioli, G.; Geiger, C. A.; Physics and Chemistry of Minerals 20 (1994) 443–453; doi:

data_9006179
_publ_section_title
;
 The crystal chemistry of pumpellyite: An X-ray Rietveld
 refinement and 57Fe Mossbauer study
 Note: sample BU
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              443
_journal_page_last               453
_journal_volume                  20
_journal_year                    1994
_chemical_compound_source        'Torrente Bulla, Italy'
_chemical_formula_sum            'Al1.837 Ca2 Fe0.841 H4 Mg0.322 O14 Si3'
_chemical_name_mineral           Pumpellyite-(Fe2+)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.461
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8375
_cell_length_b                   5.9520
_cell_length_c                   19.1812
_cell_volume                     1000.404
_database_code_amcsd             0007761
_exptl_crystal_density_diffrn    3.298
_cod_original_formula_sum        'Si3 Al1.837 Fe.841 Mg.322 Ca2 O14 H4'
_cod_database_code               9006179
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: MgCr2O4/900, results from data collected at UCLA (CuKalpha radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006180
_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: MgCr2O4/900, results
 from data collected at UCLA (CuKalpha radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3341
_cell_length_b                   8.3341
_cell_length_c                   8.3341
_cell_formula_units_Z            8
_cell_volume                     578.863
_database_code_amcsd             0007762
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006180
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: MgCr2O4/1100, results from data collected at UCLA (CuKalpha radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006181
_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: MgCr2O4/1100,
 results from data collected at UCLA (CuKalpha radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3342
_cell_length_b                   8.3342
_cell_length_c                   8.3342
_cell_formula_units_Z            8
_cell_volume                     578.884
_database_code_amcsd             0007763
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006181
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: MgCr2O4/1300, results from data collected at UCLA (CuKalpha radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006182
_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: MgCr2O4/1300,
 results from data collected at UCLA (CuKalpha radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3339
_cell_length_b                   8.3339
_cell_length_c                   8.3339
_cell_formula_units_Z            8
_cell_volume                     578.822
_database_code_amcsd             0007764
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006182
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, results from data collected at UCLA (CuKalpha radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006183
_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, results
 from data collected at UCLA (CuKalpha radiation)
;
_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             0007765
_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               9006183
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, results from data collected at UCLA (CuKalpha radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006184
_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, results from
 data collected at UCLA (CuKalpha radiation)
;
_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             0007766
_exptl_crystal_density_diffrn    5.195
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9006184
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: MgCr2O4/900, results from data collected at BGI (MoKalpha1) radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006185
_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: MgCr2O4/900, results
 from data collected at BGI (MoKalpha1) radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3341
_cell_length_b                   8.3341
_cell_length_c                   8.3341
_cell_formula_units_Z            8
_cell_volume                     578.863
_database_code_amcsd             0007767
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006185
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: MgCr2O4/1100, results from data collected at BGI (MoKalpha1) radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006186
_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: MgCr2O4/1100,
 results from data collected at BGI (MoKalpha1) radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3342
_cell_length_b                   8.3342
_cell_length_c                   8.3342
_cell_formula_units_Z            8
_cell_volume                     578.884
_database_code_amcsd             0007768
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006186
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: MgCr2O4/1300, results from data collected at BGI (MoKalpha1) radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006187
_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: MgCr2O4/1300,
 results from data collected at BGI (MoKalpha1) radiation)
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3339
_cell_length_b                   8.3339
_cell_length_c                   8.3339
_cell_formula_units_Z            8
_cell_volume                     578.822
_database_code_amcsd             0007769
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006187
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, results from data collected at BGI (MoKalpha1) radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006188
_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, results
 from data collected at BGI (MoKalpha1) radiation)
;
_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             0007770
_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               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, results from data collected at BGI (MoKalpha1) radiation)
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006189
_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, results from
 data collected at BGI (MoKalpha1) radiation)
;
_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             0007771
_exptl_crystal_density_diffrn    5.195
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9006189
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: 2B model, MgCr2O4/900
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006190
_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: 2B model,
 MgCr2O4/900
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3341
_cell_length_b                   8.3341
_cell_length_c                   8.3341
_cell_formula_units_Z            8
_cell_volume                     578.863
_database_code_amcsd             0007772
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006190
_cod_duplicate_entry 9006185
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: 2B model, MgCr2O4/1100
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006191
_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: 2B model,
 MgCr2O4/1100
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3342
_cell_length_b                   8.3342
_cell_length_c                   8.3342
_cell_formula_units_Z            8
_cell_volume                     578.884
_database_code_amcsd             0007773
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006191
_cod_duplicate_entry 9006186
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: 2B model, MgCr2O4/1300
O'Neill H St C; Dollase, W. A.; Physics and Chemistry of Minerals 20 (1994) 541–555; doi:10.1007/BF00211850

data_9006192
_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: 2B model,
 MgCr2O4/1300
;
_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 Mg O4'
_chemical_name_mineral           Magnesiochromite
_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                   8.3339
_cell_length_b                   8.3339
_cell_length_c                   8.3339
_cell_formula_units_Z            8
_cell_volume                     578.822
_database_code_amcsd             0007774
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Mg Cr2 O4'
_cod_database_code               9006192
_cod_duplicate_entry 9006187