LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 40–51; doi:10.1007/s00269-004-0441-8

data_9007341
_publ_section_title
;
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              40
_journal_page_last               51
_journal_paper_doi               10.1007/s00269-004-0441-8
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca O5 Si Ti0.81 Zr0.19'
_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                 113.635
_cell_angle_gamma                90
_cell_length_a                   7.0992
_cell_length_b                   8.7580
_cell_length_c                   6.5894
_cell_formula_units_Z            4
_cell_volume                     375.329
_database_code_amcsd             0008934
_exptl_crystal_density_diffrn    3.615
_cod_original_formula_sum        'Ca (Ti.81 Zr.19) Si O5'
_cod_database_code               9007341
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 40–51; doi:10.1007/s00269-004-0441-8

data_9007342
_publ_section_title
;
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.3
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              40
_journal_page_last               51
_journal_paper_doi               10.1007/s00269-004-0441-8
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca O5 Si Ti0.71 Zr0.29'
_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                 113.553
_cell_angle_gamma                90
_cell_length_a                   7.1252
_cell_length_b                   8.7826
_cell_length_c                   6.6057
_cell_formula_units_Z            4
_cell_volume                     378.933
_database_code_amcsd             0008935
_exptl_crystal_density_diffrn    3.657
_cod_original_formula_sum        'Ca (Ti.71 Zr.29) Si O5'
_cod_database_code               9007342
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 40–51; doi:10.1007/s00269-004-0441-8

data_9007343
_publ_section_title
;
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.4
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              40
_journal_page_last               51
_journal_paper_doi               10.1007/s00269-004-0441-8
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca O5 Si Ti0.62 Zr0.38'
_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                 113.477
_cell_angle_gamma                90
_cell_length_a                   7.1481
_cell_length_b                   8.8011
_cell_length_c                   6.6171
_cell_formula_units_Z            4
_cell_volume                     381.829
_database_code_amcsd             0008936
_exptl_crystal_density_diffrn    3.697
_cod_original_formula_sum        'Ca (Ti.62 Zr.38) Si O5'
_cod_database_code               9007343
Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5
Liferovich, R. P.; Mitchell, R. H.; Physics and Chemistry of Minerals 32 (2005) 40–51; doi:10.1007/s00269-004-0441-8

data_9007344
_publ_section_title
;
 Crystal chemistry of titanite-structured compounds:
 the CaTi1-xZrxOSiO4 (x <= 0.5) series
 Sample: x=0.5
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              40
_journal_page_last               51
_journal_paper_doi               10.1007/s00269-004-0441-8
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Ca O5 Si Ti0.51 Zr0.49'
_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                 113.369
_cell_angle_gamma                90
_cell_length_a                   7.1824
_cell_length_b                   8.8281
_cell_length_c                   6.6337
_cell_formula_units_Z            4
_cell_volume                     386.119
_database_code_amcsd             0008937
_exptl_crystal_density_diffrn    3.738
_cod_original_formula_sum        'Ca (Ti.51 Zr.49) Si O5'
_cod_database_code               9007344
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Unannealed
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007345
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Unannealed
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.94 Fe0.76 Mg0.3 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_length_a                   8.1396
_cell_length_b                   8.1396
_cell_length_c                   8.1396
_cell_formula_units_Z            8
_cell_volume                     539.274
_database_code_amcsd             0008938
_exptl_crystal_density_diffrn    4.091
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.94 Fe.76 Mg.3 O4'
_cod_database_code               9007345
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 24 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007346
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 24 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.94 Fe0.77 Mg0.29 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_length_a                   8.1388
_cell_length_b                   8.1388
_cell_length_c                   8.1388
_cell_formula_units_Z            8
_cell_volume                     539.115
_database_code_amcsd             0008939
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    4.100
_exptl_crystal_thermal_history
'Annealing temperature and time T = 500 C, t = 24 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.94 Fe.77 Mg.29 O4'
_cod_database_code               9007346
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 72 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007347
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 72 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.94 Fe0.76 Mg0.29 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_length_a                   8.1384
_cell_length_b                   8.1384
_cell_length_c                   8.1384
_cell_formula_units_Z            8
_cell_volume                     539.035
_database_code_amcsd             0008940
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    4.087
_exptl_crystal_thermal_history
'Annealing temperature and time T = 500 C, t = 72 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.94 Fe.76 Mg.29 O4'
_cod_database_code               9007347
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 116 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007348
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 116 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.94 Fe0.76 Mg0.3 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_length_a                   8.1380
_cell_length_b                   8.1380
_cell_length_c                   8.1380
_cell_formula_units_Z            8
_cell_volume                     538.956
_database_code_amcsd             0008941
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    4.094
_exptl_crystal_thermal_history
'Annealing temperature and time T = 500 C, t = 116 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.94 Fe.76 Mg.3 O4'
_cod_database_code               9007348
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 212 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007349
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 500 C, t = 212 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.95 Fe0.76 Mg0.29 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_length_a                   8.1380
_cell_length_b                   8.1380
_cell_length_c                   8.1380
_cell_formula_units_Z            8
_cell_volume                     538.956
_database_code_amcsd             0008942
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    4.094
_exptl_crystal_thermal_history
'Annealing temperature and time T = 500 C, t = 212 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.95 Fe.76 Mg.29 O4'
_cod_database_code               9007349
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 236 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007350
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 236 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.93 Fe0.77 Mg0.29 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_length_a                   8.1366
_cell_length_b                   8.1366
_cell_length_c                   8.1366
_cell_formula_units_Z            8
_cell_volume                     538.678
_database_code_amcsd             0008943
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.097
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 236 h'
_cod_original_cell_volume        538.677
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.93 Fe.77 Mg.29 O4'
_cod_database_code               9007350
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 242 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007351
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 242 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.92 Fe0.76 Mg0.3 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_length_a                   8.1347
_cell_length_b                   8.1347
_cell_length_c                   8.1347
_cell_formula_units_Z            8
_cell_volume                     538.300
_database_code_amcsd             0008944
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.085
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 242 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.92 Fe.76 Mg.3 O4'
_cod_database_code               9007351
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 260 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007352
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 260 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.91 Fe0.77 Mg0.29 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_length_a                   8.1329
_cell_length_b                   8.1329
_cell_length_c                   8.1329
_cell_formula_units_Z            8
_cell_volume                     537.943
_database_code_amcsd             0008945
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.089
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 260 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.91 Fe.77 Mg.29 O4'
_cod_database_code               9007352
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 308 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007353
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 308 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.92 Fe0.75 Mg0.29 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_length_a                   8.1291
_cell_length_b                   8.1291
_cell_length_c                   8.1291
_cell_formula_units_Z            8
_cell_volume                     537.189
_database_code_amcsd             0008946
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.074
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 308 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.92 Fe.75 Mg.29 O4'
_cod_database_code               9007353
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 356 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007354
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 356 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.88 Fe0.75 Mg0.29 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_length_a                   8.1198
_cell_length_b                   8.1198
_cell_length_c                   8.1198
_cell_formula_units_Z            8
_cell_volume                     535.348
_database_code_amcsd             0008947
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.061
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 356 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.88 Fe.75 Mg.29 O4'
_cod_database_code               9007354
Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 452 h
Lavina, B.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 32 (2005) 83–88; doi:10.1007/s00269-004-0438-3

data_9007355
_publ_section_title
;
 Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite
 Spinel structure
 Sample: Annealing temperature and time T = 600 C, t = 452 h
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              83
_journal_page_last               88
_journal_paper_doi               10.1007/s00269-004-0438-3
_journal_volume                  32
_journal_year                    2005
_chemical_formula_sum            'Al1.87 Fe0.74 Mg0.29 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_length_a                   8.1172
_cell_length_b                   8.1172
_cell_length_c                   8.1172
_cell_formula_units_Z            8
_cell_volume                     534.834
_database_code_amcsd             0008948
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    4.044
_exptl_crystal_thermal_history
'Annealing temperature and time T = 600 C, t = 452 h'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al1.87 Fe.74 Mg.29 O4'
_cod_database_code               9007355