LMucko/crystallography-open-database huggingface dataset:
Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type structure
Medrano, M. D.; Evans, H. T.; Wenk, H. R.; Piper, D. Z.; American Mineralogist 83 (1998) 889–895; doi:

data_9001967
_publ_section_title
;
 Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type
 structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              889
_journal_page_last               895
_journal_volume                  83
_journal_year                    1998
_chemical_compound_source
'Monsanto's Enoch Valley mine, Soda Springs, Idaho, USA'
_chemical_formula_sum            'Al0.78 Ba0.94 O36.94 P3 V5.22'
_chemical_name_mineral           Phosphovanadylite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.470
_cell_length_b                   15.470
_cell_length_c                   15.470
_cell_formula_units_Z            4
_cell_volume                     3702.294
_database_code_amcsd             0002028
_exptl_crystal_density_diffrn    1.973
_cod_original_cell_volume        3702.295
_cod_original_formula_sum        '(V5.22 Al.78) P3 O36.94 Ba.94'
_cod_database_code               9001967
Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: Description and crystal structure
Selway, J. B.; Novak, M.; Hawthorne, F. C.; Cerny, P.; Ottolini, L.; Kyser, T. K.; American Mineralogist 83 (1998) 896–900; doi:

data_9001968
_publ_section_title
;Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient
 tourmaline: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              896
_journal_page_last               900
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al8.16 B3 Li0.84 Na0.43 O31 Si6'
_chemical_name_mineral           Rossmanite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.770
_cell_length_b                   15.770
_cell_length_c                   7.085
_cell_volume                     1525.927
_exptl_crystal_density_diffrn    3.045
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.43 Al8.16 Li.84 Si6 B3 O31'
_cod_database_code               9001968
Thermal annealing behaviour of radiation damaged titanite Sample is heated Cardiff titanite, 1123 K for 3 days
Chrosch, J.; Colombo, M.; Malcherek, T.; Salje, E. K. H.; Groat, L. A.; Bismayer, U.; American Mineralogist 83 (1998) 1083–1091; doi:

data_9001969
_publ_section_title
;
 Thermal annealing behaviour of radiation damaged titanite
 Sample is heated Cardiff titanite, 1123 K for 3 days
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1083
_journal_page_last               1091
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al0.26 Ca O5 Si Ti0.74'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.944
_cell_angle_gamma                90
_cell_length_a                   7.0469
_cell_length_b                   8.6901
_cell_length_c                   6.5372
_cell_formula_units_Z            4
_cell_volume                     365.876
_database_code_amcsd             0002030
_exptl_crystal_density_diffrn    3.460
_exptl_crystal_thermal_history
;annealing behaviour of radiation damaged titanite Sample is heated Cardiff
 titanite, 1123 K for 3 days
;
_cod_original_formula_sum        '(Ti.74 Al.26) Ca Si O5'
_cod_database_code               9001969
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 298 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001970
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.14578
_cell_length_b                   8.14578
_cell_length_c                   8.14578
_cell_volume                     540.503
_database_code_amcsd             0002031
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    4.272
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001970
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 473 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001971
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 473 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.15612
_cell_length_b                   8.15612
_cell_length_c                   8.15612
_cell_volume                     542.564
_database_code_amcsd             0002032
_diffrn_ambient_temperature      473
_exptl_crystal_density_diffrn    4.256
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001971
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 673 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001972
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 673 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.16949
_cell_length_b                   8.16949
_cell_length_c                   8.16949
_cell_volume                     545.236
_database_code_amcsd             0002033
_diffrn_ambient_temperature      673
_exptl_crystal_density_diffrn    4.235
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001972
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 723 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001973
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 723 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.17298
_cell_length_b                   8.17298
_cell_length_c                   8.17298
_cell_volume                     545.935
_database_code_amcsd             0002034
_diffrn_ambient_temperature      723
_exptl_crystal_density_diffrn    4.229
_cod_original_cell_volume        545.936
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001973
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 773 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001974
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 773 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.17657
_cell_length_b                   8.17657
_cell_length_c                   8.17657
_cell_volume                     546.655
_database_code_amcsd             0002035
_diffrn_ambient_temperature      773
_exptl_crystal_density_diffrn    4.224
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001974
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 823 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001975
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 823 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.18021
_cell_length_b                   8.18021
_cell_length_c                   8.18021
_cell_volume                     547.386
_database_code_amcsd             0002036
_diffrn_ambient_temperature      823
_exptl_crystal_density_diffrn    4.218
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001975
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 873 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001976
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 873 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.18390
_cell_length_b                   8.18390
_cell_length_c                   8.18390
_cell_volume                     548.127
_database_code_amcsd             0002037
_diffrn_ambient_temperature      873
_exptl_crystal_density_diffrn    4.212
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001976
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 923 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001977
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 923 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.18781
_cell_length_b                   8.18781
_cell_length_c                   8.18781
_cell_volume                     548.913
_database_code_amcsd             0002038
_diffrn_ambient_temperature      923
_exptl_crystal_density_diffrn    4.206
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001977
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 973 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001978
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 973 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.19177
_cell_length_b                   8.19177
_cell_length_c                   8.19177
_cell_volume                     549.710
_database_code_amcsd             0002039
_diffrn_ambient_temperature      973
_exptl_crystal_density_diffrn    4.200
_cod_original_cell_volume        549.709
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001978
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 1023 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001979
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 1023 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.19571
_cell_length_b                   8.19571
_cell_length_c                   8.19571
_cell_volume                     550.503
_database_code_amcsd             0002040
_diffrn_ambient_temperature      1023
_exptl_crystal_density_diffrn    4.194
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001979
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 1073 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001980
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 1073 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.19988
_cell_length_b                   8.19988
_cell_length_c                   8.19988
_cell_volume                     551.344
_database_code_amcsd             0002041
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    4.188
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001980
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 1123 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001981
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 1123 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.20404
_cell_length_b                   8.20404
_cell_length_c                   8.20404
_cell_volume                     552.183
_database_code_amcsd             0002042
_diffrn_ambient_temperature      1123
_exptl_crystal_density_diffrn    4.181
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001981
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 1173 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001982
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 1173 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe1.001 O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.20826
_cell_length_b                   8.20826
_cell_length_c                   8.20826
_cell_volume                     553.036
_database_code_amcsd             0002043
_diffrn_ambient_temperature      1173
_exptl_crystal_density_diffrn    4.176
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe1.001 Al2 O4'
_cod_database_code               9001982
The temperature dependence of the cation distribution in synthetic hercynite (FeAl2O4) from in-situ neutron structure refinements Sample at T = 1223 K
Harrison, R. J.; Redfern, S. A. T.; O'Neill H St C; American Mineralogist 83 (1998) 1092–1099; doi:

data_9001983
_publ_section_title
;
 The temperature dependence of the cation distribution in synthetic hercynite
 (FeAl2O4) from in-situ neutron structure refinements
 Sample at T = 1223 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1092
_journal_page_last               1099
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_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_formula_units_Z            8
_cell_length_a                   8.21252
_cell_length_b                   8.21252
_cell_length_c                   8.21252
_cell_volume                     553.897
_database_code_amcsd             0002044
_diffrn_ambient_temperature      1223
_exptl_crystal_density_diffrn    4.168
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe Al2) O4'
_cod_database_code               9001983