LMucko/crystallography-open-database huggingface dataset:
High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 5.0 GPa
Ross, N. L.; Hazen, R. M.; Physics and Chemistry of Minerals 17 (1990) 228–237; doi:

data_9005904
_publ_section_title
;
 High-pressure crystal chemistry of MgSiO3 perovskite
 Sample: P = 5.0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              228
_journal_page_last               237
_journal_volume                  17
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg 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                   4.746
_cell_length_b                   4.899
_cell_formula_units_Z            4
_cell_length_c                   6.8538
_cell_volume                     159.355
_database_code_amcsd             0007486
_diffrn_ambient_pressure         5e+06
_exptl_crystal_density_diffrn    4.184
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005904
High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 7.5 GPa
Ross, N. L.; Hazen, R. M.; Physics and Chemistry of Minerals 17 (1990) 228–237; doi:

data_9005905
_publ_section_title
;
 High-pressure crystal chemistry of MgSiO3 perovskite
 Sample: P = 7.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              228
_journal_page_last               237
_journal_volume                  17
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg 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                   4.7321
_cell_length_b                   4.892
_cell_formula_units_Z            4
_cell_length_c                   6.836
_cell_volume                     158.250
_database_code_amcsd             0007487
_diffrn_ambient_pressure         7.5e+06
_exptl_crystal_density_diffrn    4.214
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005905
High-pressure crystal chemistry of MgSiO3 perovskite Sample: P = 10.6 GPa
Ross, N. L.; Hazen, R. M.; Physics and Chemistry of Minerals 17 (1990) 228–237; doi:

data_9005906
_publ_section_title
;
 High-pressure crystal chemistry of MgSiO3 perovskite
 Sample: P = 10.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              228
_journal_page_last               237
_journal_volume                  17
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg 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                   4.710
_cell_length_b                   4.873
_cell_formula_units_Z            4
_cell_length_c                   6.807
_cell_volume                     156.233
_database_code_amcsd             0007488
_diffrn_ambient_pressure         1.06e+07
_exptl_crystal_density_diffrn    4.268
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005906
Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation distribution, and properties of coordination polyhedra
Sawamoto, H.; Horiuchi, H.; Physics and Chemistry of Minerals 17 (1990) 293–300; doi:

data_9005907
_publ_section_title
;
 Beta (Mg0.9Fe0.1)2SiO4: single crystal structure, cation
 distribution, and properties of coordination polyhedra
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              293
_journal_page_last               300
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Fe0.2 Mg1.8 O4 Si'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7107
_cell_length_b                   11.4675
_cell_length_c                   8.2778
_cell_formula_units_Z            8
_cell_volume                     542.092
_database_code_amcsd             0007489
_exptl_crystal_density_diffrn    3.602
_cod_original_formula_sum        '(Mg1.8 Fe.2) Si O4'
_cod_database_code               9005907
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149*
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005908
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3149*
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7871
_cell_length_b                   10.3325
_cell_length_c                   6.0347
_cell_formula_units_Z            4
_cell_volume                     298.493
_database_code_amcsd             0007490
_exptl_crystal_density_diffrn    3.732
_cod_original_formula_sum        'Mg1.139 Fe.825 Mn.03 Ca.006 Si O4'
_cod_database_code               9005908
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149b
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005909
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3149b
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7891
_cell_length_b                   10.3321
_cell_length_c                   6.0346
_cell_formula_units_Z            4
_cell_volume                     298.601
_database_code_amcsd             0007491
_exptl_crystal_density_diffrn    3.731
_cod_original_formula_sum        'Mg1.139 Fe.825 Mn.03 Ca.006 Si O4'
_cod_database_code               9005909
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3149c
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005910
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3149c
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.006 Fe0.825 Mg1.139 Mn0.03 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7911
_cell_length_b                   10.3316
_cell_length_c                   6.0350
_cell_formula_units_Z            4
_cell_volume                     298.731
_database_code_amcsd             0007492
_exptl_crystal_density_diffrn    3.729
_cod_original_formula_sum        'Mg1.139 Fe.825 Mn.03 Ca.006 Si O4'
_cod_database_code               9005910
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153*
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005911
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153*
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7688
_cell_length_b                   10.2560
_cell_length_c                   6.0065
_cell_formula_units_Z            4
_cell_volume                     293.771
_database_code_amcsd             0007493
_exptl_crystal_density_diffrn    3.475
_cod_original_formula_sum        'Mg1.583 Fe.399 Mn.012 Ca.005 Si O4'
_cod_database_code               9005911
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153a
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005912
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153a
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7696
_cell_length_b                   10.2550
_cell_length_c                   6.0053
_cell_formula_units_Z            4
_cell_volume                     293.733
_database_code_amcsd             0007494
_exptl_crystal_density_diffrn    3.476
_cod_original_formula_sum        'Mg1.583 Fe.399 Mn.012 Ca.005 Si O4'
_cod_database_code               9005912
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153b
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005913
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153b
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.005 Fe0.399 Mg1.584 Mn0.012 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7701
_cell_length_b                   10.2556
_cell_length_c                   6.0060
_cell_formula_units_Z            4
_cell_volume                     293.815
_database_code_amcsd             0007495
_exptl_crystal_density_diffrn    3.475
_cod_original_formula_sum        'Mg1.584 Fe.399 Mn.012 Ca.005 Si O4'
_cod_database_code               9005913
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3153c
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005914
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3153c
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Ca0.005 Fe0.399 Mg1.583 Mn0.012 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7687
_cell_length_b                   10.2555
_cell_length_c                   6.0066
_cell_formula_units_Z            4
_cell_volume                     293.755
_database_code_amcsd             0007496
_exptl_crystal_density_diffrn    3.475
_cod_original_formula_sum        'Mg1.583 Fe.399 Mn.012 Ca.005 Si O4'
_cod_database_code               9005914
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37*
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005915
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37*
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7624
_cell_length_b                   10.2243
_cell_length_c                   5.9922
_cell_formula_units_Z            4
_cell_volume                     291.773
_database_code_amcsd             0007497
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum        'Mg1.793 Fe.199 Ni.005 Mn.003 Si O4'
_cod_database_code               9005915
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37a
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005916
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37a
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7631
_cell_length_b                   10.2230
_cell_length_c                   5.9920
_cell_formula_units_Z            4
_cell_volume                     291.769
_database_code_amcsd             0007498
_exptl_crystal_density_diffrn    3.353
_cod_original_formula_sum        'Mg1.792 Fe.2 Ni.005 Mn.003 Si O4'
_cod_database_code               9005916
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37b
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005917
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37b
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Fe0.199 Mg1.793 Mn0.003 Ni0.005 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7617
_cell_length_b                   10.2246
_cell_length_c                   5.9922
_cell_formula_units_Z            4
_cell_volume                     291.739
_database_code_amcsd             0007499
_exptl_crystal_density_diffrn    3.352
_cod_original_formula_sum        'Mg1.793 Fe.199 Ni.005 Mn.003 Si O4'
_cod_database_code               9005917
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: CC37c
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005918
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: CC37c
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum            'Fe0.2 Mg1.792 Mn0.003 Ni0.005 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7606
_cell_length_b                   10.2234
_cell_length_c                   5.9942
_cell_formula_units_Z            4
_cell_volume                     291.735
_database_code_amcsd             0007500
_exptl_crystal_density_diffrn    3.353
_cod_original_formula_sum        'Mg1.792 Fe.2 Ni.005 Mn.003 Si O4'
_cod_database_code               9005918
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3263*
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005919
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3263*
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum
'Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7620
_cell_length_b                   10.2257
_cell_formula_units_Z            4
_cell_length_c                   5.9930
_cell_volume                     291.828
_database_code_amcsd             0007501
_exptl_crystal_density_diffrn    3.333
_cod_original_formula_sum        'Mg1.817 Fe.164 Ni.01 Mn.003 Ca.007 Si O4'
_cod_database_code               9005919
Temperature, composition, and fO2 effects on intersite distribution of Mg and Fe2+ in olivines Sample: 3263d
Ottonello, G.; Princivalle, F.; Della Giusta, A.; Physics and Chemistry of Minerals 17 (1990) 301–312; doi:

data_9005920
_publ_section_title
;
 Temperature, composition, and fO2 effects on intersite
 distribution of Mg and Fe2+ in olivines
 Sample: 3263d
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              301
_journal_page_last               312
_journal_volume                  17
_journal_year                    1990
_chemical_formula_sum
'Ca0.007 Fe0.164 Mg1.817 Mn0.003 Ni0.01 O4 Si'
_chemical_name_mineral           Olivine
_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                   4.7620
_cell_length_b                   10.2207
_cell_formula_units_Z            4
_cell_length_c                   5.9907
_cell_volume                     291.573
_database_code_amcsd             0007502
_exptl_crystal_density_diffrn    3.336
_cod_original_formula_sum        'Mg1.817 Fe.164 Ni.01 Mn.003 Ca.007 Si O4'
_cod_database_code               9005920
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 294 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005921
_publ_section_title
;
 Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5
 I. A high temperature X-ray diffraction study of the order parameter
 and transition mechanism
 Sample: T = 294 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              591
_journal_page_last               603
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_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                 113.840
_cell_angle_gamma                90
_cell_length_a                   7.0722
_cell_length_b                   8.7302
_cell_length_c                   6.5672
_cell_formula_units_Z            4
_cell_volume                     370.875
_database_code_amcsd             0007503
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    3.511
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005921