LMucko/crystallography-open-database huggingface dataset:
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 900 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001437
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 900 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2.001 Ni1.001 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                   8.04741
_cell_length_b                   8.04741
_cell_length_c                   8.04741
_cell_formula_units_Z            8
_cell_volume                     521.157
_database_code_amcsd             0001475
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history
'quench temperature = 900 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ni1.001 Al2.001 O4'
_cod_database_code               9001437
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 800 C, initially annealed at 800 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001438
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 800 C, initially annealed at 800 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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                   8.04622
_cell_length_b                   8.04622
_cell_length_c                   8.04622
_cell_formula_units_Z            8
_cell_volume                     520.926
_database_code_amcsd             0001476
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history
'quench temperature = 800 C; initially annealed at 800 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001438
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1500 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001439
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1500 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2.001 Ni0.999 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                   8.05263
_cell_length_b                   8.05263
_cell_length_c                   8.05263
_cell_formula_units_Z            8
_cell_volume                     522.172
_database_code_amcsd             0001477
_exptl_crystal_density_diffrn    4.493
_exptl_crystal_thermal_history
'quench temperature = 1500 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni.999 Al2.001) O4'
_cod_database_code               9001439
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1300 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001440
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1300 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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                   8.05199
_cell_length_b                   8.05199
_cell_length_c                   8.05199
_cell_formula_units_Z            8
_cell_volume                     522.047
_database_code_amcsd             0001478
_exptl_crystal_density_diffrn    4.495
_exptl_crystal_thermal_history
'quench temperature = 1300 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001440
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1200 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001441
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1200 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al1.999 Ni1.001 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                   8.05145
_cell_length_b                   8.05145
_cell_length_c                   8.05145
_cell_formula_units_Z            8
_cell_volume                     521.942
_database_code_amcsd             0001479
_exptl_crystal_density_diffrn    4.497
_exptl_crystal_thermal_history
'quench temperature = 1200 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni1.001 Al1.999) O4'
_cod_database_code               9001441
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1100 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001442
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1100 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2 Ni 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                   8.05059
_cell_length_b                   8.05059
_cell_length_c                   8.05059
_cell_formula_units_Z            8
_cell_volume                     521.775
_database_code_amcsd             0001480
_exptl_crystal_density_diffrn    4.498
_exptl_crystal_thermal_history
'quench temperature = 1100 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni Al2) O4'
_cod_database_code               9001442
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 1000 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001443
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 1000 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al2.001 Ni1.001 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                   8.04897
_cell_length_b                   8.04897
_cell_length_c                   8.04897
_cell_formula_units_Z            8
_cell_volume                     521.460
_database_code_amcsd             0001481
_exptl_crystal_density_diffrn    4.502
_exptl_crystal_thermal_history
'quench temperature = 1000 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ni1.001 Al2.001 O4'
_cod_database_code               9001443
_amcsd_formula_title             NiAl2O4
Structural variation in nickel aluminate spinel (NiAl2O4) sample quench temperature = 900 C, initially annealed at 1300 C
Roelofsen, J. N.; Peterson, R. C.; Raudsepp, M.; American Mineralogist 77 (1992) 522–528; doi:

data_9001444
_publ_section_title
;
 Structural variation in nickel aluminate spinel (NiAl2O4)
 sample quench temperature = 900 C, initially annealed at 1300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              522
_journal_page_last               528
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al1.999 Ni1.001 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                   8.04751
_cell_length_b                   8.04751
_cell_length_c                   8.04751
_cell_formula_units_Z            8
_cell_volume                     521.176
_database_code_amcsd             0001482
_exptl_crystal_density_diffrn    4.503
_exptl_crystal_thermal_history
'quench temperature = 900 C; initially annealed at 1300 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni1.001 Al1.999) O4'
_cod_database_code               9001444
_amcsd_formula_title             NiAl2O4
Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized at 1400 C and 20 GPa
Pacalo, R. E. G.; Parise, J. B.; American Mineralogist 77 (1992) 681–684; doi:

data_9001445
_publ_section_title
;Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized
 at 1400 C and 20 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               684
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'H4 Mg10 O18 Si3'
_chemical_name_mineral           Phase-B-superhydrous
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0894
_cell_length_b                   13.968
_cell_length_c                   8.6956
_cell_formula_units_Z            2
_cell_volume                     618.159
_database_code_amcsd             0001483
_exptl_crystal_density_diffrn    3.327
_exptl_crystal_pressure_history  'synthesized at 1400 C and 20 GPa'
_exptl_crystal_thermal_history   'synthesized at 1400 C'
_cod_original_formula_sum        'Si3 Mg10 O18 H4'
_cod_database_code               9001445
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 400 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001446
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 1, anneal T = 400 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3805
_cell_length_b                   8.3805
_cell_length_c                   8.3805
_cell_formula_units_Z            8
_cell_volume                     588.586
_database_code_amcsd             0001484
_exptl_crystal_density_diffrn    4.514
_exptl_crystal_thermal_history   'anneal T = 400 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001446
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 450 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001447
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 2, anneal T = 450 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3806
_cell_length_b                   8.3806
_cell_length_c                   8.3806
_cell_formula_units_Z            8
_cell_volume                     588.607
_database_code_amcsd             0001485
_exptl_crystal_density_diffrn    4.514
_exptl_crystal_thermal_history   'anneal T = 450 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001447
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 500 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001448
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 1, anneal T = 500 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3827
_cell_length_b                   8.3827
_cell_length_c                   8.3827
_cell_formula_units_Z            8
_cell_volume                     589.049
_database_code_amcsd             0001486
_exptl_crystal_density_diffrn    4.510
_exptl_crystal_thermal_history   'anneal T = 500 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001448
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 500 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001449
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 2, anneal T = 500 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3827
_cell_length_b                   8.3827
_cell_length_c                   8.3827
_cell_formula_units_Z            8
_cell_volume                     589.049
_database_code_amcsd             0001487
_exptl_crystal_density_diffrn    4.510
_exptl_crystal_thermal_history   'anneal T = 500 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001449
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 550 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001450
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 2, anneal T = 550 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3845
_cell_length_b                   8.3845
_cell_length_c                   8.3845
_cell_formula_units_Z            8
_cell_volume                     589.429
_database_code_amcsd             0001488
_exptl_crystal_density_diffrn    4.507
_exptl_crystal_thermal_history   'anneal T = 550 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001450
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 600 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001451
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 2, anneal T = 600 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3863
_cell_length_b                   8.3863
_cell_length_c                   8.3863
_cell_formula_units_Z            8
_cell_volume                     589.809
_database_code_amcsd             0001489
_exptl_crystal_density_diffrn    4.505
_exptl_crystal_thermal_history   'anneal T = 600 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001451
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 650 C using Rietveld method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001452
_publ_section_title
;
 The temperature dependence of the cation distribution in magnesioferrite
 (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy
 batch 1, anneal T = 650 C using Rietveld method
;
_journal_name_full               'American Mineralogist'
_journal_page_first              725
_journal_page_last               740
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2 Mg O4'
_chemical_name_mineral           Magnesioferrite
_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                   8.3883
_cell_length_b                   8.3883
_cell_length_c                   8.3883
_cell_formula_units_Z            8
_cell_volume                     590.231
_database_code_amcsd             0001490
_exptl_crystal_density_diffrn    4.501
_exptl_crystal_thermal_history   'anneal T = 650 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001452