LMucko/crystallography-open-database huggingface dataset:
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .78 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010901
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = .78 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5592
_cell_length_b                   3.5592
_cell_length_c                   4.8155
_cell_formula_units_Z            1
_cell_volume                     52.830
_diffrn_ambient_pressure         7.8e+05
_exptl_crystal_density_diffrn    2.392
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010901
_database_code_amcsd 0009071
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 1.61 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010902
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 1.61 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5462
_cell_length_b                   3.5462
_cell_length_c                   4.7428
_cell_formula_units_Z            1
_cell_volume                     51.653
_diffrn_ambient_pressure         1.61e+06
_exptl_crystal_density_diffrn    2.447
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010902
_database_code_amcsd 0009072
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.08 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010903
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 2.08 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5384
_cell_length_b                   3.5384
_cell_length_c                   4.7084
_cell_formula_units_Z            1
_cell_volume                     51.053
_diffrn_ambient_pressure         2.08e+06
_exptl_crystal_density_diffrn    2.475
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010903
_database_code_amcsd 0009073
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.35 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010904
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 2.35 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5341
_cell_length_b                   3.5341
_cell_length_c                   4.6861
_cell_formula_units_Z            1
_cell_volume                     50.687
_diffrn_ambient_pressure         2.35e+06
_exptl_crystal_density_diffrn    2.493
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010904
_database_code_amcsd 0009074
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 2.44 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010905
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 2.44 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5317
_cell_length_b                   3.5317
_cell_length_c                   4.6775
_cell_formula_units_Z            1
_cell_volume                     50.526
_diffrn_ambient_pressure         2.44e+06
_exptl_crystal_density_diffrn    2.501
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010905
_database_code_amcsd 0009075
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 3.40 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010906
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 3.40 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5175
_cell_length_b                   3.5175
_cell_length_c                   4.6186
_cell_formula_units_Z            1
_cell_volume                     49.489
_diffrn_ambient_pressure         3.4e+06
_exptl_crystal_density_diffrn    2.554
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010906
_database_code_amcsd 0009076
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = 4.53 GPa
Xu, H.; Zhao, Y.; Zhang, J.; Hickmott, D. D.; Daemen, L. L.; Physics and Chemistry of Minerals 34 (2007) 223–232; doi:10.1007/s00269-007-0141-2

data_9010907
_publ_section_title
;
 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high
 pressure and temperature
 Sample: P = 4.53 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              223
_journal_page_last               232
_journal_paper_doi               10.1007/s00269-007-0141-2
_journal_volume                  34
_journal_year                    2007
_chemical_formula_sum            'Ca D2 O2'
_chemical_name_mineral           'Portlandite (deuterated)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.5002
_cell_length_b                   3.5002
_cell_length_c                   4.5646
_cell_formula_units_Z            1
_cell_volume                     48.431
_diffrn_ambient_pressure         4.53e+06
_exptl_crystal_density_diffrn    2.609
_cod_original_formula_sum        'Ca O2 D2'
_cod_database_code               9010907
_database_code_amcsd 0009077
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.05
Kojitani, H.; Katsura, T.; Akaogi, M.; Physics and Chemistry of Minerals 34 (2007) 257–267; doi:10.1007/s00269-007-0144-z

data_9010908
_publ_section_title
;Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation
 by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.05
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              257
_journal_page_last               267
_journal_paper_doi               10.1007/s00269-007-0144-z
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.05 Mg0.99 O2.985 Si0.96'
_chemical_name_mineral           'Perovskite-type MgSiO3'
_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_formula_units_Z            4
_cell_length_a                   4.7785
_cell_length_b                   4.9326
_cell_length_c                   6.9059
_cell_volume                     162.775
_database_code_amcsd             0009078
_exptl_crystal_density_diffrn    4.086
_cod_original_formula_sum        'Mg.99 Al.05 Si.96 O2.985'
_cod_database_code               9010908
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.10
Kojitani, H.; Katsura, T.; Akaogi, M.; Physics and Chemistry of Minerals 34 (2007) 257–267; doi:10.1007/s00269-007-0144-z

data_9010909
_publ_section_title
;Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation
 by Rietveld analysis Sample: Nonstoichiometric with XAl = 0.10
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              257
_journal_page_last               267
_journal_paper_doi               10.1007/s00269-007-0144-z
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.1 Mg0.97 O2.979 Si0.93'
_chemical_name_mineral           'Perovskite-type MgSiO3'
_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_formula_units_Z            4
_cell_length_a                   4.7769
_cell_length_b                   4.9336
_cell_length_c                   6.9085
_cell_volume                     162.815
_database_code_amcsd             0009079
_exptl_crystal_density_diffrn    4.082
_cod_original_formula_sum        'Mg.97 Al.1 Si.93 O2.979'
_cod_database_code               9010909
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Stoichiometric with XAl = 0.05
Kojitani, H.; Katsura, T.; Akaogi, M.; Physics and Chemistry of Minerals 34 (2007) 257–267; doi:10.1007/s00269-007-0144-z

data_9010910
_publ_section_title
;Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation
 by Rietveld analysis Sample: Stoichiometric with XAl = 0.05
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              257
_journal_page_last               267
_journal_paper_doi               10.1007/s00269-007-0144-z
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.05 Mg0.975 O3 Si0.975'
_chemical_name_mineral           'Perovskite-type MgSiO3'
_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_formula_units_Z            4
_cell_length_a                   4.7783
_cell_length_b                   4.9327
_cell_length_c                   6.9051
_cell_volume                     162.753
_database_code_amcsd             0009080
_exptl_crystal_density_diffrn    4.099
_cod_original_formula_sum        'Mg.975 Al.05 Si.975 O3'
_cod_database_code               9010910
Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation by Rietveld analysis Sample: Stoichiometric with XAl = 0.10
Kojitani, H.; Katsura, T.; Akaogi, M.; Physics and Chemistry of Minerals 34 (2007) 257–267; doi:10.1007/s00269-007-0144-z

data_9010911
_publ_section_title
;Aluminum substitution mechanisms in perovskite-type MgSiO3: an investigation
 by Rietveld analysis Sample: Stoichiometric with XAl = 0.10
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              257
_journal_page_last               267
_journal_paper_doi               10.1007/s00269-007-0144-z
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.1 Mg0.95 O3 Si0.95'
_chemical_name_mineral           'Perovskite-type MgSiO3'
_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_formula_units_Z            4
_cell_length_a                   4.7767
_cell_length_b                   4.9342
_cell_length_c                   6.9130
_cell_volume                     162.934
_database_code_amcsd             0009081
_exptl_crystal_density_diffrn    4.096
_cod_original_formula_sum        '(Mg.95 Al.1) Si.95 O3'
_cod_database_code               9010911
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 1 atm
Yamanaka, T.; Komatsu, Y.; Nomori, H.; Physics and Chemistry of Minerals 34 (2007) 307–318; doi:10.1007/s00269-007-0149-7

data_9010912
_publ_section_title
;Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
 by MEM using single crystal diffraction intensities Locality: synthetic
 Sample: P = 1 atm
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              307
_journal_page_last               318
_journal_paper_doi               10.1007/s00269-007-0149-7
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O3 Ti'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.08810
_cell_length_b                   5.08810
_cell_length_c                   14.0910
_cell_formula_units_Z            6
_cell_volume                     315.925
_database_code_amcsd             0009082
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.785
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Ti O3'
_cod_database_code               9010912
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 3.6 Gpa
Yamanaka, T.; Komatsu, Y.; Nomori, H.; Physics and Chemistry of Minerals 34 (2007) 307–318; doi:10.1007/s00269-007-0149-7

data_9010913
_publ_section_title
;Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
 by MEM using single crystal diffraction intensities Locality: synthetic
 Sample: P = 3.6 Gpa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              307
_journal_page_last               318
_journal_paper_doi               10.1007/s00269-007-0149-7
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O3 Ti'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0678
_cell_length_b                   5.0678
_cell_length_c                   13.9956
_cell_formula_units_Z            6
_cell_volume                     311.287
_database_code_amcsd             0009083
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    4.856
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Ti O3'
_cod_database_code               9010913
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 5.3 GPa
Yamanaka, T.; Komatsu, Y.; Nomori, H.; Physics and Chemistry of Minerals 34 (2007) 307–318; doi:10.1007/s00269-007-0149-7

data_9010914
_publ_section_title
;Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
 by MEM using single crystal diffraction intensities Locality: synthetic
 Sample: P = 5.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              307
_journal_page_last               318
_journal_paper_doi               10.1007/s00269-007-0149-7
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O3 Ti'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0567
_cell_length_b                   5.0567
_cell_length_c                   13.8892
_cell_formula_units_Z            6
_cell_volume                     307.569
_database_code_amcsd             0009084
_diffrn_ambient_pressure         5.3e+06
_exptl_crystal_density_diffrn    4.915
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Ti O3'
_cod_database_code               9010914
Electron density distribution of FeTiO3 ilmenite under high pressure analyzed by MEM using single crystal diffraction intensities Locality: synthetic Sample: P = 8.2 GPa
Yamanaka, T.; Komatsu, Y.; Nomori, H.; Physics and Chemistry of Minerals 34 (2007) 307–318; doi:10.1007/s00269-007-0149-7

data_9010915
_publ_section_title
;Electron density distribution of FeTiO3 ilmenite under high pressure analyzed
 by MEM using single crystal diffraction intensities Locality: synthetic
 Sample: P = 8.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              307
_journal_page_last               318
_journal_paper_doi               10.1007/s00269-007-0149-7
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O3 Ti'
_chemical_name_mineral           Ilmenite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.0398
_cell_length_b                   5.0398
_cell_length_c                   13.7968
_cell_formula_units_Z            6
_cell_volume                     303.484
_database_code_amcsd             0009085
_diffrn_ambient_pressure         8.2e+06
_exptl_crystal_density_diffrn    4.981
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Ti O3'
_cod_database_code               9010915
Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and high-pressure crystal chemistry Sample: P = .0001 GPa
Olsen, L. A.; Balic-Zunic T; Makovicky, E.; Ullrich, A.; Miletich, R.; Physics and Chemistry of Minerals 34 (2007) 467–475; doi:10.1007/s00269-007-0163-9

data_9010916
_publ_section_title
;
 Hydrostatic compression of galenobismutite (PbBi2S4): elastic properties and
 high-pressure crystal chemistry
 Sample: P = .0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              467
_journal_page_last               475
_journal_paper_doi               10.1007/s00269-007-0163-9
_journal_volume                  34
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2 Pb S4'
_chemical_name_mineral           Galenobismutite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.8021
_cell_length_b                   14.5690
_cell_length_c                   4.0758
_cell_formula_units_Z            4
_cell_volume                     700.813
_database_code_amcsd             0009086
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    7.141
_cod_database_code               9010916