LMucko/crystallography-open-database huggingface dataset:
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 950 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001484
_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 = 950 C using the two step 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                   8.3970
_cell_length_b                   8.3970
_cell_length_c                   8.3970
_cell_formula_units_Z            8
_cell_volume                     592.069
_database_code_amcsd             0001522
_exptl_crystal_density_diffrn    4.487
_exptl_crystal_thermal_history   'anneal T = 950 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001484
_cod_duplicate_entry 9001483
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 1000 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001485
_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 = 1000 C using the two step 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                   8.3981
_cell_length_b                   8.3981
_cell_length_c                   8.3981
_cell_formula_units_Z            8
_cell_volume                     592.302
_database_code_amcsd             0001523
_exptl_crystal_density_diffrn    4.486
_exptl_crystal_thermal_history   'anneal T = 1000 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001485
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 2, anneal T = 1050 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001486
_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 = 1050 C using the two step 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                   8.3987
_cell_length_b                   8.3987
_cell_length_c                   8.3987
_cell_formula_units_Z            8
_cell_volume                     592.429
_database_code_amcsd             0001524
_exptl_crystal_density_diffrn    4.485
_exptl_crystal_thermal_history   'anneal T = 1050 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001486
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 1100 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001487
_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 = 1100 C using the two step 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                   8.3998
_cell_length_b                   8.3998
_cell_length_c                   8.3998
_cell_formula_units_Z            8
_cell_volume                     592.662
_database_code_amcsd             0001525
_exptl_crystal_density_diffrn    4.483
_exptl_crystal_thermal_history   'anneal T = 1100 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001487
_cod_duplicate_entry 9001465
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 1150 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001488
_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 = 1150 C using the two step 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                   8.4000
_cell_length_b                   8.4000
_cell_length_c                   8.4000
_cell_formula_units_Z            8
_cell_volume                     592.704
_database_code_amcsd             0001526
_exptl_crystal_density_diffrn    4.483
_exptl_crystal_thermal_history   'anneal T = 1150 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001488
The temperature dependence of the cation distribution in magnesioferrite (MgFe2O4) from powder XRD structural refinements and Mossbauer spectroscopy batch 1, anneal T = 1200 C using the two step method
O'Neill H St C; Annersten, H.; Virgo, D.; American Mineralogist 77 (1992) 725–740; doi:

data_9001489
_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 = 1200 C using the two step 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                   8.3998
_cell_length_b                   8.3998
_cell_length_c                   8.3998
_cell_formula_units_Z            8
_cell_volume                     592.662
_database_code_amcsd             0001527
_exptl_crystal_density_diffrn    4.483
_exptl_crystal_thermal_history   'anneal T = 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Fe2) O4'
_cod_database_code               9001489
Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite, Cu(H2O)2[SeO3]
Robinson, P. D.; Sen Gupta, P. K.; Swihart, G. H.; Houk, L.; American Mineralogist 77 (1992) 834–838; doi:

data_9001490
_publ_section_title
;Crystal structure, H positions, and the Se lone pair of synthetic
 chalcomenite, Cu(H2O)2[SeO3]
;
_journal_name_full               'American Mineralogist'
_journal_page_first              834
_journal_page_last               838
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cu H4 O5 Se'
_chemical_name_mineral           Chalcomenite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.674
_cell_length_b                   9.161
_cell_length_c                   7.398
_cell_volume                     452.318
_database_code_amcsd             0001528
_exptl_crystal_density_diffrn    3.386
_cod_original_formula_sum        'Se Cu O5 H8'
_cod_database_code               9001490
Eglestonite, [Hg2]3Cl3O2H: Confirmation of the chemical formula by neutron powder diffraction sample SX examined by single-crystal X-ray diffraction
Mereiter, K.; Zemann, J.; Hewat, A. W.; American Mineralogist 77 (1992) 839–842; doi:

data_9001491
_publ_section_title
;
 Eglestonite, [Hg2]3Cl3O2H: Confirmation of the chemical formula by neutron
 powder diffraction
 sample SX examined by single-crystal X-ray diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              839
_journal_page_last               842
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cl3 Hg6 O2'
_chemical_name_mineral           Eglestonite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.036
_cell_length_b                   16.036
_cell_length_c                   16.036
_cell_formula_units_Z            16
_cell_volume                     4123.710
_database_code_amcsd             0001529
_exptl_crystal_density_diffrn    8.646
_cod_original_cell_volume        4123.709
_cod_original_formula_sum        'Hg6 Cl3 O2'
_cod_database_code               9001491
Eglestonite, (Hg2)3Cl3O2H: confirmation of the chemical formula by neutron powder diffraction sample SN examined by powder neutron diffraction
Mereiter, K.; Zemann, J.; Hewat, A. W.; American Mineralogist 77 (1992) 839–842; doi:

data_9001492
_publ_section_title
;
 Eglestonite, (Hg2)3Cl3O2H: confirmation of the chemical formula by neutron
 powder diffraction
 sample SN examined by powder neutron diffraction
;
_journal_name_full               'American Mineralogist'
_journal_page_first              839
_journal_page_last               842
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cl3 H Hg6 O2'
_chemical_name_mineral           Eglestonite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.036
_cell_length_b                   16.036
_cell_length_c                   16.036
_cell_formula_units_Z            16
_cell_volume                     4123.710
_database_code_amcsd             0001530
_exptl_crystal_density_diffrn    8.652
_cod_original_cell_volume        4123.709
_cod_original_formula_sum        'Hg6 Cl3 O2 H'
_cod_database_code               9001492
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and ehrleite and some general comments on beryllophosphate linkages
Kampf, A. R.; American Mineralogist 77 (1992) 848–856; doi:

data_9001493
_publ_section_title
;Beryllophosphate chains in the structures of fransoletite, parafransoletite,
 and ehrleite and some general comments on beryllophosphate linkages
;
_journal_name_full               'American Mineralogist'
_journal_page_first              848
_journal_page_last               856
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Be2 Ca3 H10 O20 P4'
_chemical_name_mineral           Fransoletite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.519
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.3482
_cell_length_b                   15.0522
_cell_length_c                   7.0685
_cell_volume                     776.768
_database_code_amcsd             0001531
_exptl_crystal_density_diffrn    2.532
_cod_original_formula_sum        'Ca3 Be2 P4 O20 H10'
_cod_database_code               9001493
Beryllophosphate chains in the structures of fransoletite, parafransoletite, and ehrleite and some general comments on beryllophosphate linkages
Kampf, A. R.; American Mineralogist 77 (1992) 848–856; doi:

data_9001494
_publ_section_title
;Beryllophosphate chains in the structures of fransoletite, parafransoletite,
 and ehrleite and some general comments on beryllophosphate linkages
;
_journal_name_full               'American Mineralogist'
_journal_page_first              848
_journal_page_last               856
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Be2 Ca3 H10 O20 P4'
_chemical_name_mineral           Parafransoletite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.903
_cell_angle_beta                 96.820
_cell_angle_gamma                101.865
_cell_formula_units_Z            1
_cell_length_a                   7.3275
_cell_length_b                   7.6959
_cell_length_c                   7.0606
_cell_volume                     384.414
_database_code_amcsd             0001532
_exptl_crystal_density_diffrn    2.558
_cod_original_formula_sum        'Ca3 Be2 P4 O20 H10'
_cod_database_code               9001494
High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in air
McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.; American Mineralogist 77 (1992) 937–944; doi:

data_9001495
_publ_section_title
;
 High-pressure crystal chemistry of cubanite, CuFe2S3
 P = 0 GPa, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               944
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.46
_cell_length_b                   11.10
_cell_length_c                   6.22
_cell_formula_units_Z            4
_cell_volume                     446.011
_database_code_amcsd             0001533
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.042
_cod_database_code               9001495
High-pressure crystal chemistry of cubanite, CuFe2S3 P = 0 GPa, in the cell
McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.; American Mineralogist 77 (1992) 937–944; doi:

data_9001496
_publ_section_title
;
 High-pressure crystal chemistry of cubanite, CuFe2S3
 P = 0 GPa, in the cell
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               944
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.455
_cell_length_b                   11.102
_cell_length_c                   6.226
_cell_formula_units_Z            4
_cell_volume                     446.176
_database_code_amcsd             0001534
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    4.041
_cod_database_code               9001496
High-pressure crystal chemistry of cubanite, CuFe2S3 P = 1.7 GPa
McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.; American Mineralogist 77 (1992) 937–944; doi:

data_9001497
_publ_section_title
;
 High-pressure crystal chemistry of cubanite, CuFe2S3
 P = 1.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               944
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.404
_cell_length_b                   11.010
_cell_length_c                   6.158
_cell_formula_units_Z            4
_cell_volume                     434.189
_database_code_amcsd             0001535
_diffrn_ambient_pressure         1.7e+06
_exptl_crystal_density_diffrn    4.152
_cod_database_code               9001497
High-pressure crystal chemistry of cubanite, CuFe2S3 P = 3.6 GPa
McCammon, C. A.; Zhang, J.; Hazen, R. M.; Finger, L. W.; American Mineralogist 77 (1992) 937–944; doi:

data_9001498
_publ_section_title
;
 High-pressure crystal chemistry of cubanite, CuFe2S3
 P = 3.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              937
_journal_page_last               944
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Cu Fe2 S3'
_chemical_name_mineral           Cubanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.344
_cell_length_b                   10.919
_cell_length_c                   6.098
_cell_formula_units_Z            4
_cell_volume                     422.409
_database_code_amcsd             0001536
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    4.268
_cod_database_code               9001498
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #1 from Sauland
Ohkawa, M.; Yoshiasa, A.; Takeno, S.; American Mineralogist 77 (1992) 945–953; doi:

data_9001499
_publ_section_title
;
 Crystal chemistry of vesuvianite: Site preferences of square-pyramidal
 coordinated sites
 sample #1 from Sauland
;
_journal_name_full               'American Mineralogist'
_journal_page_first              945
_journal_page_last               953
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al5.44 Ca9.5 Cu0.26 F2.7 H2.3 Mg0.8 O36.3 Si9'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.517
_cell_length_b                   15.517
_cell_length_c                   11.781
_cell_volume                     2836.597
_database_code_amcsd             0001537
_exptl_crystal_density_diffrn    3.397
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Ca9.5 Cu.26 Mg.8 Al5.44 Si9 O36.3 (F2.7 H2.3)'
_cod_database_code               9001499
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #2 from Sanpo
Ohkawa, M.; Yoshiasa, A.; Takeno, S.; American Mineralogist 77 (1992) 945–953; doi:

data_9001500
_publ_section_title
;
 Crystal chemistry of vesuvianite: Site preferences of square-pyramidal
 coordinated sites
 sample #2 from Sanpo
;
_journal_name_full               'American Mineralogist'
_journal_page_first              945
_journal_page_last               953
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Al5.24 Ca9.5 F Fe1.26 H4 O38 Si9'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.606
_cell_length_b                   15.606
_cell_length_c                   11.825
_cell_volume                     2879.946
_database_code_amcsd             0001538
_exptl_crystal_density_diffrn    3.405
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'Ca9.5 Fe1.26 Al5.24 Si9 O38 F H4'
_cod_database_code               9001500