LMucko/crystallography-open-database huggingface dataset:
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 486 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010933
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 486 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3293
_cell_length_b                   8.9275
_cell_length_c                   6.6076
_cell_formula_units_Z            4
_cell_volume                     314.372
_database_code_amcsd             0009103
_diffrn_ambient_temperature      759.15
_exptl_crystal_density_diffrn    4.169
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010933
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 606 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010934
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 606 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3322
_cell_length_b                   8.9310
_cell_length_c                   6.6537
_cell_formula_units_Z            4
_cell_volume                     316.862
_database_code_amcsd             0009104
_diffrn_ambient_temperature      879.15
_exptl_crystal_density_diffrn    4.137
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010934
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 691 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010935
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 691 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3336
_cell_length_b                   8.9354
_cell_length_c                   6.6877
_cell_formula_units_Z            4
_cell_volume                     318.721
_database_code_amcsd             0009105
_diffrn_ambient_temperature      964.15
_exptl_crystal_density_diffrn    4.112
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010935
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 708 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010936
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 708 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3337
_cell_length_b                   8.9361
_cell_length_c                   6.6949
_cell_formula_units_Z            4
_cell_volume                     319.096
_database_code_amcsd             0009106
_diffrn_ambient_temperature      981.15
_exptl_crystal_density_diffrn    4.108
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010936
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 777 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010937
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 777 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3338
_cell_length_b                   8.9403
_cell_length_c                   6.7252
_cell_formula_units_Z            4
_cell_volume                     320.696
_database_code_amcsd             0009107
_diffrn_ambient_temperature      1050.15
_exptl_crystal_density_diffrn    4.087
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010937
BaCO3: high-temperature crystal structures and the Pmcn –> R3m phase transition at 811 C Sample: T = 794 C
Antao, S. M.; Hassan, I.; Physics and Chemistry of Minerals 34 (2007) 573–580; doi:10.1007/s00269-007-0172-8

data_9010938
_publ_section_title
;
 BaCO3: high-temperature crystal structures and the Pmcn --> R3m phase
 transition at 811 C
 Sample: T = 794 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              573
_journal_page_last               580
_journal_paper_doi               10.1007/s00269-007-0172-8
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ba O3'
_chemical_name_mineral           Witherite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3333
_cell_length_b                   8.9417
_cell_length_c                   6.7339
_cell_formula_units_Z            4
_cell_volume                     321.131
_database_code_amcsd             0009108
_diffrn_ambient_temperature      1067.15
_exptl_crystal_density_diffrn    4.082
_cod_original_formula_sum        'Ba C O3'
_cod_database_code               9010938
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 0.0001 GPa, T = 293 K
Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C.; Physics and Chemistry of Minerals 34 (2007) 627–635; doi:10.1007/s00269-007-0177-3

data_9010939
_publ_section_title
;
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
 an in situ single-crystal X-ray diffraction study
 Sample: P = 0.0001 GPa, T = 293 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              627
_journal_page_last               635
_journal_paper_doi               10.1007/s00269-007-0177-3
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_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                   8.3950
_cell_length_b                   8.3950
_cell_length_c                   8.3950
_cell_formula_units_Z            8
_cell_volume                     591.646
_database_code_amcsd             0009109
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    5.199
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9010939
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 4.99 GPa, T = 293 K
Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C.; Physics and Chemistry of Minerals 34 (2007) 627–635; doi:10.1007/s00269-007-0177-3

data_9010940
_publ_section_title
;
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
 an in situ single-crystal X-ray diffraction study
 Sample: P = 4.99 GPa, T = 293 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              627
_journal_page_last               635
_journal_paper_doi               10.1007/s00269-007-0177-3
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_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                   8.3198
_cell_length_b                   8.3198
_cell_length_c                   8.3198
_cell_formula_units_Z            8
_cell_volume                     575.889
_database_code_amcsd             0009110
_diffrn_ambient_pressure         4.99e+06
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    5.341
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9010940
Effect of non-hydrostatic conditions on the elastic behaviour of magnetite: an in situ single-crystal X-ray diffraction study Sample: P = 9.21 GPa, T = 293 K
Gatta, G. D.; Kantor, I.; Ballaran, T. B.; Dubrovinsky, L.; McCammon, C.; Physics and Chemistry of Minerals 34 (2007) 627–635; doi:10.1007/s00269-007-0177-3

data_9010941
_publ_section_title
;
 Effect of non-hydrostatic conditions on the elastic behaviour of magnetite:
 an in situ single-crystal X-ray diffraction study
 Sample: P = 9.21 GPa, T = 293 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              627
_journal_page_last               635
_journal_paper_doi               10.1007/s00269-007-0177-3
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_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                   8.2634
_cell_length_b                   8.2634
_cell_length_c                   8.2634
_cell_formula_units_Z            8
_cell_volume                     564.256
_database_code_amcsd             0009111
_diffrn_ambient_pressure         9.21e+06
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    5.451
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               9010941
Neutron diffraction study of aluminous hydroxide d-AlOOD
Vanpeteghem, C. B.; Sano, A.; Komatsu, K.; Ohtani, E.; Suzuki, A.; Physics and Chemistry of Minerals 34 (2007) 657–661; doi:10.1007/s00269-007-0180-8

data_9010942
_publ_section_title
;
 Neutron diffraction study of aluminous hydroxide d-AlOOD
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              657
_journal_page_last               661
_journal_paper_doi               10.1007/s00269-007-0180-8
_journal_volume                  34
_journal_year                    2007
_chemical_formula_structural     AlOOH
_chemical_formula_sum            'Al D0.744 H0.256 O2'
_chemical_name_mineral           'Boehmite (deuterated)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.71236
_cell_length_b                   4.23110
_cell_length_c                   2.82890
_cell_formula_units_Z            2
_cell_volume                     56.404
_exptl_crystal_density_diffrn    3.576
_cod_original_formula_sum        'Al O2 (D.744 H.256)'
_cod_database_code               9010942
_database_code_amcsd 0009112
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 300 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010943
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 300 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3622
_cell_length_b                   5.4885
_cell_length_c                   7.6694
_cell_formula_units_Z            4
_cell_volume                     225.714
_database_code_amcsd             0009113
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    3.069
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010943
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 275 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010944
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 275 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3580
_cell_length_b                   5.4874
_cell_length_c                   7.6642
_cell_formula_units_Z            4
_cell_volume                     225.339
_database_code_amcsd             0009114
_diffrn_ambient_temperature      275
_exptl_crystal_density_diffrn    3.074
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010944
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 250 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010945
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 250 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3535
_cell_length_b                   5.4858
_cell_length_c                   7.6596
_cell_formula_units_Z            4
_cell_volume                     224.949
_database_code_amcsd             0009115
_diffrn_ambient_temperature      250
_exptl_crystal_density_diffrn    3.079
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010945
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 225 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010946
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 225 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3494
_cell_length_b                   5.4846
_cell_length_c                   7.6557
_cell_formula_units_Z            4
_cell_volume                     224.613
_database_code_amcsd             0009116
_diffrn_ambient_temperature      225
_exptl_crystal_density_diffrn    3.084
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010946
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 200 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010947
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 200 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3453
_cell_length_b                   5.4835
_cell_length_c                   7.6507
_cell_formula_units_Z            4
_cell_volume                     224.249
_database_code_amcsd             0009117
_diffrn_ambient_temperature      200
_exptl_crystal_density_diffrn    3.089
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010947
A powder neutron diffraction study of the crystal structure of the fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K Sample: T = 175 K
Mitchell, R. H.; Alexander, M.; Cranswick, L. M. D.; Swainson, I. P.; Physics and Chemistry of Minerals 34 (2007) 705–712; doi:10.1007/s00269-007-0188-0

data_9010948
_publ_section_title
;
 A powder neutron diffraction study of the crystal structure of the
 fluoroperovskite NaMgF3 (neighborite) from 300 to 3.6 K
 Sample: T = 175 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              705
_journal_page_last               712
_journal_paper_doi               10.1007/s00269-007-0188-0
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F3 Mg Na'
_chemical_name_mineral           Neighborite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3416
_cell_length_b                   5.4826
_cell_length_c                   7.6475
_cell_formula_units_Z            4
_cell_volume                     223.964
_database_code_amcsd             0009118
_diffrn_ambient_temperature      175
_exptl_crystal_density_diffrn    3.093
_cod_original_formula_sum        'Na Mg F3'
_cod_database_code               9010948