LMucko/crystallography-open-database huggingface dataset:
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 1.03 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002019
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 1.03 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7392
_cell_length_b                   9.9539
_cell_length_c                   3.7426
_cell_formula_units_Z            4
_cell_volume                     362.819
_database_code_amcsd             0002081
_diffrn_ambient_pressure         1.03e+06
_exptl_crystal_density_diffrn    3.663
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002019
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 2.16 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002020
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 2.16 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.7166
_cell_length_b                   9.9275
_cell_length_c                   3.7369
_cell_formula_units_Z            4
_cell_volume                     360.467
_database_code_amcsd             0002082
_diffrn_ambient_pressure         2.16e+06
_exptl_crystal_density_diffrn    3.686
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002020
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 3.22 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002021
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 3.22 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6949
_cell_length_b                   9.9022
_cell_length_c                   3.7313
_cell_formula_units_Z            4
_cell_volume                     358.208
_database_code_amcsd             0002083
_diffrn_ambient_pressure         3.22e+06
_exptl_crystal_density_diffrn    3.710
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002021
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 4.34 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002022
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 4.34 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6737
_cell_length_b                   9.8769
_cell_length_c                   3.7271
_cell_formula_units_Z            4
_cell_volume                     356.110
_database_code_amcsd             0002084
_diffrn_ambient_pressure         4.34e+06
_exptl_crystal_density_diffrn    3.732
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002022
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 6.20 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002023
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 6.20 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6327
_cell_length_b                   9.8302
_cell_length_c                   3.7177
_cell_formula_units_Z            4
_cell_volume                     352.034
_database_code_amcsd             0002085
_diffrn_ambient_pressure         6.2e+06
_exptl_crystal_density_diffrn    3.775
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002023
Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with different ordering states Sample P1400, x(Ti) in M1 = .485, P = 7.51 GPa
Yang, H.; Hazen, R. M.; American Mineralogist 84 (1999) 130–137; doi:

data_9002024
_publ_section_title
;
 Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
 different ordering states
 Sample P1400, x(Ti) in M1 = .485, P = 7.51 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              130
_journal_page_last               137
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Mg O5 Ti2'
_chemical_name_mineral           Pseudobrookite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6080
_cell_length_b                   9.8024
_cell_length_c                   3.7114
_cell_formula_units_Z            4
_cell_volume                     349.545
_database_code_amcsd             0002086
_diffrn_ambient_pressure         7.51e+06
_exptl_crystal_density_diffrn    3.802
_cod_original_formula_sum        '(Mg Ti2) O5'
_cod_database_code               9002024
Structure refinement of birefringent Cr-bearing majorite Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12
Nakatsuka, A.; Yoshiasa, A.; Yamanaka, T.; Ito, E.; American Mineralogist 84 (1999) 199–202; doi:

data_9002025
_publ_section_title
;
 Structure refinement of birefringent Cr-bearing majorite
 Mg3(Mg.34Si.34Al.18Cr.14)2Si3O12
;
_journal_name_full               'American Mineralogist'
_journal_page_first              199
_journal_page_last               202
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al0.36 Cr0.28 Mg3.68 O12 Si4.68'
_chemical_name_mineral           Majorite
_symmetry_space_group_name_H-M   'I 41/a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.512
_cell_length_b                   11.512
_cell_length_c                   11.515
_cell_formula_units_Z            8
_cell_volume                     1526.039
_exptl_crystal_density_diffrn    3.805
_cod_original_cell_volume        1526.038
_cod_original_formula_sum        'Si4.68 Mg3.68 Al.36 Cr.28 O12'
_cod_database_code               9002025
_database_code_amcsd 0002087
In situ structure determination of the high-pressure phase of Fe3O4 Sample data recorded at P = 23.96 GPa, T = = 823 K
Fei, Y.; Frost, D. J.; Mao, H. K.; Prewitt, C. T.; Hausermann, D.; American Mineralogist 84 (1999) 203–206; doi:

data_9002026
_publ_section_title
;
 In situ structure determination of the high-pressure phase of Fe3O4
 Sample data recorded at P = 23.96 GPa, T = = 823 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              203
_journal_page_last               206
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Fe3O4
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.7992
_cell_length_b                   9.4097
_cell_length_c                   9.4832
_cell_formula_units_Z            4
_cell_volume                     249.784
_database_code_amcsd             0002088
_diffrn_ambient_pressure         2.396e+07
_exptl_crystal_density_diffrn    6.157
_cod_database_code               9002026
_amcsd_formula_title             Fe3O4
A moganite-type phase in the silica analog phosphorus oxynitride
Chateau, C.; Haines, J.; Leger, J. M.; LeSauze, A.; Marchand, R.; American Mineralogist 84 (1999) 207–210; doi:

data_9002027
_publ_section_title
;
 A moganite-type phase in the silica analog phosphorus oxynitride
;
_journal_name_full               'American Mineralogist'
_journal_page_first              207
_journal_page_last               210
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'N O P'
_chemical_name_mineral           PON
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.00
_cell_angle_gamma                90
_cell_length_a                   8.5173
_cell_length_b                   4.7453
_cell_length_c                   10.3990
_cell_formula_units_Z            12
_cell_volume                     420.298
_database_code_amcsd             0002089
_exptl_crystal_density_diffrn    2.891
_cod_original_formula_sum        'P (O N)'
_cod_database_code               9002027
_amcsd_formula_title             PON
High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under different oxygen fugacity conditions Sample PV-A
Jephcoat, A. P.; Hriljac, J. A.; McCammon, C. A.; O'Neill H St C; Rubie, D. C.; Finger, L. W.; American Mineralogist 84 (1999) 214–220; doi:

data_9002028
_publ_section_title
;
 High-resolution synchrotron X-ray powder diffraction and Rietveld structure
 refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under
 different oxygen fugacity conditions
 Sample PV-A
;
_journal_name_full               'American Mineralogist'
_journal_page_first              214
_journal_page_last               220
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Mg.95,Fe.05)SiO3
_chemical_formula_sum            'Fe0.05 Mg0.95 O3 Si'
_chemical_name_mineral           Bridgmanite
_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                   4.7839
_cell_length_b                   4.9294
_cell_length_c                   6.9000
_cell_formula_units_Z            4
_cell_volume                     162.714
_database_code_amcsd             0002090
_exptl_crystal_density_diffrn    4.162
_cod_original_formula_sum        '(Mg.95 Fe.05) Si O3'
_cod_database_code               9002028
High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under different oxygen fugacity conditions Sample PV-B
Jephcoat, A. P.; Hriljac, J. A.; McCammon, C. A.; O'Neill H St C; Rubie, D. C.; Finger, L. W.; American Mineralogist 84 (1999) 214–220; doi:

data_9002029
_publ_section_title
;
 High-resolution synchrotron X-ray powder diffraction and Rietveld structure
 refinement of two (Mg.95,Fe.05)SiO3 perovskite samples synthesized under
 different oxygen fugacity conditions
 Sample PV-B
;
_journal_name_full               'American Mineralogist'
_journal_page_first              214
_journal_page_last               220
_journal_volume                  84
_journal_year                    1999
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Mg.95,Fe.05)SiO3
_chemical_formula_sum            'Fe0.06 Mg0.96 O3 Si'
_chemical_name_mineral           Bridgmanite
_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                   4.78517
_cell_length_b                   4.93227
_cell_length_c                   6.90484
_cell_formula_units_Z            4
_cell_volume                     162.966
_database_code_amcsd             0002091
_exptl_crystal_density_diffrn    4.189
_cod_original_formula_sum        'Mg.96 Fe.06 Si O3'
_cod_database_code               9002029
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002030
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 0.00 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2554
_cell_length_b                   8.7650
_cell_length_c                   5.3333
_cell_formula_units_Z            4
_cell_volume                     432.656
_database_code_amcsd             0002092
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.094
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002030
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002031
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 1.11 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2351
_cell_length_b                   8.7310
_cell_length_c                   5.3216
_cell_formula_units_Z            4
_cell_volume                     429.089
_database_code_amcsd             0002093
_diffrn_ambient_pressure         1.11e+06
_exptl_crystal_density_diffrn    3.120
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002031
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002032
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 2.03 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2178
_cell_length_b                   8.7039
_cell_length_c                   5.3119
_cell_formula_units_Z            4
_cell_volume                     426.178
_database_code_amcsd             0002094
_diffrn_ambient_pressure         2.03e+06
_exptl_crystal_density_diffrn    3.141
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002032
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 2.50 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002033
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 2.50 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.1167
_cell_length_b                   8.7857
_cell_length_c                   5.1837
_cell_formula_units_Z            4
_cell_volume                     415.197
_diffrn_ambient_pressure         2.5e+06
_exptl_crystal_density_diffrn    3.224
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002033
_database_code_amcsd 0002095
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 4.22 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002034
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 4.22 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0877
_cell_length_b                   8.7526
_cell_length_c                   5.1531
_cell_formula_units_Z            4
_cell_volume                     409.883
_diffrn_ambient_pressure         4.22e+06
_exptl_crystal_density_diffrn    3.266
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002034
_database_code_amcsd 0002096
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 6.14 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002035
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 6.14 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0548
_cell_length_b                   8.7120
_cell_length_c                   5.1209
_cell_formula_units_Z            4
_cell_volume                     403.964
_diffrn_ambient_pressure         6.14e+06
_exptl_crystal_density_diffrn    3.314
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002035
_database_code_amcsd 0002097