LMucko/crystallography-open-database huggingface dataset:
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 800 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002393
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 800 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.978 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0845
_cell_length_b                   8.0845
_cell_length_c                   8.0845
_cell_formula_units_Z            8
_cell_volume                     528.396
_database_code_amcsd             0002478
_exptl_crystal_density_diffrn    3.562
_exptl_crystal_thermal_history   'quenched from T = 800 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002393
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 850 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002394
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 850 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.972 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0841
_cell_length_b                   8.0841
_cell_length_c                   8.0841
_cell_formula_units_Z            8
_cell_volume                     528.318
_database_code_amcsd             0002479
_exptl_crystal_density_diffrn    3.558
_exptl_crystal_thermal_history   'quenched from T = 850 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002394
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 900 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002395
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 900 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.972 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0840
_cell_length_b                   8.0840
_cell_length_c                   8.0840
_cell_formula_units_Z            8
_cell_volume                     528.298
_database_code_amcsd             0002480
_exptl_crystal_density_diffrn    3.558
_exptl_crystal_thermal_history   'quenched from T = 900 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002395
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 950 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002396
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 950 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.972 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0838
_cell_length_b                   8.0838
_cell_length_c                   8.0838
_cell_formula_units_Z            8
_cell_volume                     528.259
_database_code_amcsd             0002481
_exptl_crystal_density_diffrn    3.559
_exptl_crystal_thermal_history   'quenched from T = 950 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002396
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 1000 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002397
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 1000 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.972 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0835
_cell_length_b                   8.0835
_cell_length_c                   8.0835
_cell_formula_units_Z            8
_cell_volume                     528.200
_database_code_amcsd             0002482
_exptl_crystal_density_diffrn    3.559
_exptl_crystal_thermal_history   'quenched from T = 1000 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002397
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 1100 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002398
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 1100 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.962 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0829
_cell_length_b                   8.0829
_cell_length_c                   8.0829
_cell_formula_units_Z            8
_cell_volume                     528.082
_database_code_amcsd             0002483
_exptl_crystal_density_diffrn    3.553
_exptl_crystal_thermal_history   'quenched from T = 1100 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002398
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 950 C for 3 days
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002399
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 950 C for 3 days
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.968 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0837
_cell_length_b                   8.0837
_cell_length_c                   8.0837
_cell_formula_units_Z            8
_cell_volume                     528.239
_database_code_amcsd             0002484
_exptl_crystal_density_diffrn    3.556
_exptl_crystal_thermal_history   'quenched from T = 950 C for 3 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002399
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 800 C for 7 days
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002400
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 800 C for 7 days
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.968 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0846
_cell_length_b                   8.0846
_cell_length_c                   8.0846
_cell_formula_units_Z            8
_cell_volume                     528.416
_database_code_amcsd             0002485
_exptl_crystal_density_diffrn    3.555
_exptl_crystal_thermal_history   'quenched from T = 800 C for 7 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002400
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 700 C for 90 days
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002401
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 700 C for 90 days
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.984 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0851
_cell_length_b                   8.0851
_cell_length_c                   8.0851
_cell_formula_units_Z            8
_cell_volume                     528.514
_database_code_amcsd             0002486
_exptl_crystal_density_diffrn    3.565
_exptl_crystal_thermal_history   'quenched from T = 700 C for 90 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002401
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: quenched from T = 600 C for 45 days
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002402
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: quenched from T = 600 C for 45 days
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.98 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0856
_cell_length_b                   8.0856
_cell_length_c                   8.0856
_cell_formula_units_Z            8
_cell_volume                     528.612
_database_code_amcsd             0002487
_exptl_crystal_density_diffrn    3.562
_exptl_crystal_thermal_history   'quenched from T = 600 C for 45 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002402
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: Z(O)=0, quenched from T = 950 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002403
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: Z(O)=0, quenched from T = 950 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.916 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0837
_cell_length_b                   8.0837
_cell_length_c                   8.0837
_cell_formula_units_Z            8
_cell_volume                     528.239
_database_code_amcsd             0002488
_exptl_crystal_density_diffrn    3.521
_exptl_crystal_thermal_history   'quenched from T = 950 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002403
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: Z(O)=-2, quenched from T = 950 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002404
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: Z(O)=-2, quenched from T = 950 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.984 Mg O4'
_chemical_name_mineral           Spinel
_chemical_compound_source        'Sample: Z(O)=-2'
_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                   8.0837
_cell_length_b                   8.0837
_cell_length_c                   8.0837
_cell_formula_units_Z            8
_cell_volume                     528.239
_exptl_crystal_density_diffrn    3.567
_exptl_crystal_thermal_history   'quenched from T = 950 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002404
_database_code_amcsd 0002489
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: Z(O)=-1.6, neutral cations, quenched from T = 950 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002405
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: Z(O)=-1.6, neutral cations, quenched from T = 950 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.972 Mg O4'
_chemical_name_mineral           Spinel
_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                   8.0837
_cell_length_b                   8.0837
_cell_length_c                   8.0837
_cell_formula_units_Z            8
_cell_volume                     528.239
_database_code_amcsd             0002490
_exptl_crystal_density_diffrn    3.559
_exptl_crystal_thermal_history   'quenched from T = 950 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002405
Cation ordering and structural variations with temperature in MgAl2O4 spinel: An X-ray single crystal study Sample: Z(O)=-1.6, ionized cations, quenched from T = 950 C for 1 day
Andreozzi, G. B.; Princivalle, F.; Skogby, H.; Della Giusta, A.; American Mineralogist 85 (2000) 1164–1171; doi:

data_9002406
_publ_section_title
;
 Cation ordering and structural variations with temperature in
 MgAl2O4 spinel: An X-ray single crystal study
 Sample: Z(O)=-1.6, ionized cations, quenched from T = 950 C for 1 day
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1164
_journal_page_last               1171
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.978 Mg O4'
_chemical_name_mineral           Spinel
_chemical_compound_source        'Sample: Z(O)=-1.6, ionized cations'
_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                   8.0837
_cell_length_b                   8.0837
_cell_length_c                   8.0837
_cell_formula_units_Z            8
_cell_volume                     528.239
_exptl_crystal_density_diffrn    3.563
_exptl_crystal_thermal_history   'quenched from T = 950 C for 1 day'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002406
_database_code_amcsd 0002491
Crystal structure of Cr-mullite Sample: fixed slit, monochromatic
Fischer, R. X.; Schneider, H.; American Mineralogist 85 (2000) 1175–1179; doi:

data_9002407
_publ_section_title
;
 Crystal structure of Cr-mullite
 Sample: fixed slit, monochromatic
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1175
_journal_page_last               1179
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al1.97 Cr0.25 O5.22 Si0.78'
_chemical_name_mineral           Mullite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.56712
_cell_length_b                   7.70909
_cell_length_c                   2.90211
_cell_volume                     169.296
_database_code_amcsd             0002492
_exptl_crystal_density_diffrn    3.366
_cod_original_formula_sum        'Al1.97 Cr.25 Si.78 O5.22'
_cod_database_code               9002407
Cordierite I: The coordination of Fe2+ Sample: DA-1
Geiger, C. A.; Armbruster, T.; Khomenko, V.; Quartieri, S.; American Mineralogist 85 (2000) 1255–1264; doi:

data_9002408
_publ_section_title
;
 Cordierite I: The coordination of Fe2+
 Sample: DA-1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1264
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al4 Fe0.14 Mg1.86 Na0.09 O18.58 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                   17.072
_cell_length_b                   9.727
_cell_length_c                   9.351
_cell_volume                     1552.821
_database_code_amcsd             0002493
_exptl_crystal_density_diffrn    2.570
_cod_original_formula_sum        'Si5 Al4 (Mg1.86 Fe.14) Na.09 O18.58'
_cod_database_code               9002408
Cordierite I: The coordination of Fe2+ Sample: 42/IA
Geiger, C. A.; Armbruster, T.; Khomenko, V.; Quartieri, S.; American Mineralogist 85 (2000) 1255–1264; doi:

data_9002409
_publ_section_title
;
 Cordierite I: The coordination of Fe2+
 Sample: 42/IA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1255
_journal_page_last               1264
_journal_volume                  85
_journal_year                    2000
_chemical_formula_sum            'Al4 Fe0.164 Mg1.836 Na0.07 O18.59 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                   17.069
_cell_length_b                   9.725
_cell_length_c                   9.347
_cell_volume                     1551.565
_database_code_amcsd             0002494
_exptl_crystal_density_diffrn    2.574
_cod_original_formula_sum        'Si5 Al4 (Mg1.836 Fe.164) Na.07 O18.59'
_cod_database_code               9002409