LMucko/crystallography-open-database huggingface dataset:
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 7.34 GPa, ordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010346
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 7.34 GPa, ordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   7.9996
_cell_length_b                   7.9996
_cell_length_c                   7.9996
_cell_formula_units_Z            8
_cell_volume                     511.923
_database_code_amcsd             0004468
_diffrn_ambient_pressure         7.34e+06
_exptl_crystal_density_diffrn    3.692
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010346
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 8.03 GPa, ordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010347
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 8.03 GPa, ordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   7.9921
_cell_length_b                   7.9921
_cell_length_c                   7.9921
_cell_formula_units_Z            8
_cell_volume                     510.485
_database_code_amcsd             0004469
_diffrn_ambient_pressure         8.03e+06
_exptl_crystal_density_diffrn    3.702
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010347
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 0.0001 GPa, in air, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010348
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 0.0001 GPa, in air, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   8.0849
_cell_length_b                   8.0849
_cell_length_c                   8.0849
_cell_formula_units_Z            8
_cell_volume                     528.474
_database_code_amcsd             0004470
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.576
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010348
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 0.0001 GPa, in DAC, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010349
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 0.0001 GPa, in DAC, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   8.0899
_cell_length_b                   8.0899
_cell_length_c                   8.0899
_cell_formula_units_Z            8
_cell_volume                     529.455
_database_code_amcsd             0004471
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.570
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010349
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 0.440 GPa, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010350
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 0.440 GPa, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   8.0801
_cell_length_b                   8.0801
_cell_length_c                   8.0801
_cell_formula_units_Z            8
_cell_volume                     527.534
_database_code_amcsd             0004472
_diffrn_ambient_pressure         4.4e+05
_exptl_crystal_density_diffrn    3.583
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010350
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 2.924 GPa, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010351
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 2.924 GPa, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   8.0451
_cell_length_b                   8.0451
_cell_length_c                   8.0451
_cell_formula_units_Z            8
_cell_volume                     520.708
_database_code_amcsd             0004473
_diffrn_ambient_pressure         2.924e+06
_exptl_crystal_density_diffrn    3.629
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010351
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 7.342 GPa, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010352
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 7.342 GPa, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   7.9928
_cell_length_b                   7.9928
_cell_length_c                   7.9928
_cell_formula_units_Z            8
_cell_volume                     510.619
_database_code_amcsd             0004474
_diffrn_ambient_pressure         7.342e+06
_exptl_crystal_density_diffrn    3.701
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010352
Comparative compressibility and structural behavior of spinel MgAl2O4 at high pressures: the independency on the degree of cation order Locality: Sri Lanka Sample: P = 8.027 GPa, disordered
Nestola, F.; Boffa Ballaran, T.; Balic-Zunic T; Princivalle, F.; Secco, L.; Dal Negro, A.; American Mineralogist 92 (2007) 1838–1843; doi:10.2138/am.2007.2573

data_9010353
_publ_section_title
;Comparative compressibility and structural behavior of spinel MgAl2O4 at high
 pressures: the independency on the degree of cation order Locality: Sri Lanka
 Sample: P = 8.027 GPa, disordered
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1838
_journal_page_last               1843
_journal_paper_doi               10.2138/am.2007.2573
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Sri Lanka'
_chemical_formula_sum            'Al2 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                   7.9874
_cell_length_b                   7.9874
_cell_length_c                   7.9874
_cell_formula_units_Z            8
_cell_volume                     509.585
_database_code_amcsd             0004475
_diffrn_ambient_pressure         8.027e+06
_exptl_crystal_density_diffrn    3.709
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9010353
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 2.0 K, P = 1 bar
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010354
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Note: Ca(z) and O(y) changed to match normal structure
 Sample: T = 2.0 K, P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13451
_cell_length_b                   9.87568
_cell_length_c                   7.29518
_cell_formula_units_Z            4
_cell_volume                     225.825
_database_code_amcsd             0004476
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    8.244
_cod_database_code               9010354
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 100.0 K, P = 1 bar
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010355
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Note: Ca(z) and O(y) changed to match normal structure
 Sample: T = 100.0 K, P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13493
_cell_length_b                   9.87709
_cell_length_c                   7.29562
_cell_formula_units_Z            4
_cell_volume                     225.901
_database_code_amcsd             0004477
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    8.242
_cod_database_code               9010355
_amcsd_formula_title             CaIrO3
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 205.0 K, P = 1 bar
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010356
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Note: Ca(z) and O(y) changed to match normal structure
 Sample: T = 205.0 K, P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13622
_cell_length_b                   9.88198
_cell_length_c                   7.29871
_cell_formula_units_Z            4
_cell_volume                     226.202
_database_code_amcsd             0004478
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      205
_exptl_crystal_density_diffrn    8.231
_cod_database_code               9010356
_amcsd_formula_title             CaIrO3
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Note: Ca(z) and O(y) changed to match normal structure Sample: T = 293 K, P = 1 bar
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010357
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Note: Ca(z) and O(y) changed to match normal structure
 Sample: T = 293 K, P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13645
_cell_length_b                   9.88352
_cell_length_c                   7.29903
_cell_formula_units_Z            4
_cell_volume                     226.264
_database_code_amcsd             0004479
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    8.228
_cod_database_code               9010357
_amcsd_formula_title             CaIrO3
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 293 K
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010358
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Sample: T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13642
_cell_length_b                   9.88337
_cell_length_c                   7.29891
_cell_volume                     226.255
_cell_formula_units_Z            4
_database_code_amcsd             0004480
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    8.229
_cod_database_code               9010358
_amcsd_formula_title             CaIrO3
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: T = 2.0 K
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010359
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Sample: T = 2.0 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.13450
_cell_length_b                   9.87576
_cell_length_c                   7.29521
_cell_volume                     225.827
_cell_formula_units_Z            4
_database_code_amcsd             0004481
_diffrn_ambient_temperature      2
_exptl_crystal_density_diffrn    8.244
_cod_database_code               9010359
High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction Sample: P = 9.72 GPa, room temp
Martin, C. D.; Smith, R. I.; Marshall, W. G.; Parise, J. B.; American Mineralogist 92 (2007) 1912–1918; doi:10.2138/am.2007.2585

data_9010360
_publ_section_title
;
 High-pressure structure and bonding in CaIrO3: the structure model of MgSiO3
 post-perovskite investigated with time-of-flight neutron powder diffraction
 Sample: P = 9.72 GPa, room temp
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1912
_journal_page_last               1918
_journal_paper_doi               10.2138/am.2007.2585
_journal_volume                  92
_journal_year                    2007
_chemical_formula_structural     CaIrO3
_chemical_formula_sum            'Ca Ir O3'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.1010
_cell_length_b                   9.6588
_cell_length_c                   7.2111
_cell_volume                     215.986
_cell_formula_units_Z            4
_database_code_amcsd             0004482
_diffrn_ambient_pressure         9.72e+06
_exptl_crystal_density_diffrn    8.620
_cod_database_code               9010360
_amcsd_formula_title             CaIrO3