LMucko/crystallography-open-database huggingface dataset:
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003753
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.9375
_cell_length_b                   4.9375
_cell_length_c                   13.743
_cell_formula_units_Z            6
_cell_volume                     290.153
_database_code_amcsd             0003872
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.976
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003753
_amcsd_formula_title             MgGeO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 1.8 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003754
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 1.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.923
_cell_length_b                   4.923
_cell_length_c                   13.687
_cell_formula_units_Z            6
_cell_volume                     287.275
_database_code_amcsd             0003873
_diffrn_ambient_pressure         1.8e+06
_exptl_crystal_density_diffrn    5.026
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003754
_amcsd_formula_title             MgGeO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 4.7 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003755
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 4.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.907
_cell_length_b                   4.907
_cell_length_c                   13.605
_cell_formula_units_Z            6
_cell_volume                     283.701
_database_code_amcsd             0003874
_diffrn_ambient_pressure         4.7e+06
_exptl_crystal_density_diffrn    5.089
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003755
_amcsd_formula_title             MgGeO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003756
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 8.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.880
_cell_length_b                   4.880
_cell_length_c                   13.502
_cell_formula_units_Z            6
_cell_volume                     278.464
_database_code_amcsd             0003875
_diffrn_ambient_pressure         8.1e+06
_exptl_crystal_density_diffrn    5.185
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003756
_amcsd_formula_title             MgGeO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 9.3 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003757
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 9.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgGeO3
_chemical_formula_sum            'Ge Mg O3'
_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                   4.871
_cell_length_b                   4.871
_cell_length_c                   13.458
_cell_formula_units_Z            6
_cell_volume                     276.533
_database_code_amcsd             0003876
_diffrn_ambient_pressure         9.3e+06
_exptl_crystal_density_diffrn    5.221
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ge O3'
_cod_database_code               9003757
_amcsd_formula_title             MgGeO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 0.0001 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003758
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgTiO3
_chemical_formula_sum            'Mg O3 Ti'
_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                   5.0540
_cell_length_b                   5.0540
_cell_length_c                   13.898
_cell_formula_units_Z            6
_cell_volume                     307.435
_database_code_amcsd             0003877
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.895
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ti O3'
_cod_database_code               9003758
_amcsd_formula_title             MgTiO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 3.1 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003759
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 3.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgTiO3
_chemical_formula_sum            'Mg O3 Ti'
_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                   5.028
_cell_length_b                   5.028
_cell_length_c                   13.79
_cell_formula_units_Z            6
_cell_volume                     301.916
_database_code_amcsd             0003878
_diffrn_ambient_pressure         3.1e+06
_exptl_crystal_density_diffrn    3.966
_cod_original_cell_volume        301.915
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ti O3'
_cod_database_code               9003759
_amcsd_formula_title             MgTiO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 5.8 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003760
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 5.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgTiO3
_chemical_formula_sum            'Mg O3 Ti'
_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                   5.006
_cell_length_b                   5.006
_cell_length_c                   13.689
_cell_formula_units_Z            6
_cell_volume                     297.087
_database_code_amcsd             0003879
_diffrn_ambient_pressure         5.8e+06
_exptl_crystal_density_diffrn    4.031
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ti O3'
_cod_database_code               9003760
_amcsd_formula_title             MgTiO3
Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression Sample: P = 8.1 GPa
Yamanaka, T.; Komatsu, Y.; Sugahara, M.; Nagai, T.; American Mineralogist 90 (2005) 1301–1307; doi:10.2138/am.2005.1621

data_9003761
_publ_section_title
;
 Structure change of MgSiO3, MgGeO3, and MgTiO3 ilmenites under compression
 Sample: P = 8.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1301
_journal_page_last               1307
_journal_paper_doi               10.2138/am.2005.1621
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     MgTiO3
_chemical_formula_sum            'Mg O3 Ti'
_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                   4.992
_cell_length_b                   4.992
_cell_length_c                   13.609
_cell_formula_units_Z            6
_cell_volume                     293.701
_database_code_amcsd             0003880
_diffrn_ambient_pressure         8.1e+06
_exptl_crystal_density_diffrn    4.077
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Mg Ti O3'
_cod_database_code               9003761
_amcsd_formula_title             MgTiO3
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003762
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge O5 Ti'
_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                 113.834
_cell_angle_gamma                90
_cell_length_a                   7.158
_cell_length_b                   8.885
_cell_length_c                   6.649
_cell_formula_units_Z            4
_cell_volume                     386.806
_database_code_amcsd             0003881
_exptl_crystal_density_diffrn    4.131
_cod_original_formula_sum        'Ca Ti Ge O5'
_cod_database_code               9003762
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003763
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.901 O5 Si0.098 Ti'
_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                 113.833
_cell_angle_gamma                90
_cell_length_a                   7.14287
_cell_length_b                   8.87820
_cell_length_c                   6.64268
_cell_formula_units_Z            4
_cell_volume                     385.330
_database_code_amcsd             0003882
_exptl_crystal_density_diffrn    4.070
_cod_original_formula_sum        'Ca Ti Ge.901 Si.098 O5'
_cod_database_code               9003763
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003764
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.871 O5 Si0.128 Ti'
_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                 113.738
_cell_angle_gamma                90
_cell_length_a                   7.13460
_cell_length_b                   8.87346
_cell_length_c                   6.63886
_cell_formula_units_Z            4
_cell_volume                     384.738
_database_code_amcsd             0003883
_exptl_crystal_density_diffrn    4.053
_cod_original_formula_sum        'Ca Ti Ge.871 Si.128 O5'
_cod_database_code               9003764
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003765
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.678 O5 Si0.321 Ti'
_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                 113.767
_cell_angle_gamma                90
_cell_length_a                   7.11815
_cell_length_b                   8.83215
_cell_length_c                   6.61777
_cell_formula_units_Z            4
_cell_volume                     380.765
_database_code_amcsd             0003884
_exptl_crystal_density_diffrn    3.946
_cod_original_formula_sum        'Ca Ti Ge.678 Si.321 O5'
_cod_database_code               9003765
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003766
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.49 O5 Si0.51 Ti'
_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                 113.757
_cell_angle_gamma                90
_cell_length_a                   7.09534
_cell_length_b                   8.79173
_cell_length_c                   6.59620
_cell_formula_units_Z            4
_cell_volume                     376.606
_database_code_amcsd             0003885
_exptl_crystal_density_diffrn    3.842
_cod_original_formula_sum        'Ca Ti (Ge.49 Si.51) O5'
_cod_database_code               9003766
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003767
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.336 O5 Si0.663 Ti'
_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                 113.766
_cell_angle_gamma                90
_cell_length_a                   7.09137
_cell_length_b                   8.78567
_cell_length_c                   6.59344
_cell_formula_units_Z            4
_cell_volume                     375.952
_database_code_amcsd             0003886
_exptl_crystal_density_diffrn    3.727
_cod_original_formula_sum        'Ca Ti Ge.336 Si.663 O5'
_cod_database_code               9003767
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'
A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4
Ellemann-Olesen R; Malcherek, T.; American Mineralogist 90 (2005) 1325–1334; doi:10.2138/am.2005.1729

data_9003768
_publ_section_title
;A high-temperature diffraction study of the solid solution CaTiOSiO4 -
 CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1325
_journal_page_last               1334
_journal_paper_doi               10.2138/am.2005.1729
_journal_volume                  90
_journal_year                    2005
_chemical_formula_structural     'CaTiOSiO4 - CaTiOGeO4 join'
_chemical_formula_sum            'Ca Ge0.2 O5 Si0.799 Ti'
_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                 113.782
_cell_angle_gamma                90
_cell_length_a                   7.07182
_cell_length_b                   8.74371
_cell_length_c                   6.57304
_cell_formula_units_Z            4
_cell_volume                     371.925
_database_code_amcsd             0003887
_exptl_crystal_density_diffrn    3.660
_cod_original_formula_sum        'Ca Ti Ge.2 Si.799 O5'
_cod_database_code               9003768
_amcsd_formula_title             'CaTiOSiO4 - CaTiOGeO4 join'