LMucko/crystallography-open-database huggingface dataset:
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments sample in air
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001184
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments sample in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.031
_cell_length_b                   12.031
_cell_length_c                   12.031
_cell_formula_units_Z            8
_cell_volume                     1741.427
_database_code_amcsd             0001207
_exptl_crystal_density_diffrn    3.877
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001184
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 2.0 GPa
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001185
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 2.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.992
_cell_length_b                   11.992
_cell_length_c                   11.992
_cell_formula_units_Z            8
_cell_volume                     1724.546
_database_code_amcsd             0001208
_diffrn_ambient_pressure         2e+06
_exptl_crystal_density_diffrn    3.915
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001185
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 3.0 GPa
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001186
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 3.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.9546
_cell_length_b                   11.9546
_cell_length_c                   11.9546
_cell_formula_units_Z            8
_cell_volume                     1708.461
_database_code_amcsd             0001209
_diffrn_ambient_pressure         3e+06
_exptl_crystal_density_diffrn    3.951
_cod_original_cell_volume        1708.462
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001186
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 5.0 GPa
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001187
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 5.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.915
_cell_length_b                   11.915
_cell_length_c                   11.915
_cell_formula_units_Z            8
_cell_volume                     1691.539
_database_code_amcsd             0001210
_diffrn_ambient_pressure         5e+06
_exptl_crystal_density_diffrn    3.991
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001187
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 12.5 GPa
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001188
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 12.5 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.785
_cell_length_b                   11.785
_cell_length_c                   11.785
_cell_formula_units_Z            8
_cell_volume                     1636.774
_database_code_amcsd             0001211
_diffrn_ambient_pressure         1.25e+07
_exptl_crystal_density_diffrn    4.124
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001188
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 19.0 GPa
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001189
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 19.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Ca3 Fe2 O12 Si3'
_chemical_name_mineral           Andradite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.669
_cell_length_b                   11.669
_cell_length_c                   11.669
_cell_formula_units_Z            8
_cell_volume                     1588.916
_database_code_amcsd             0001212
_diffrn_ambient_pressure         1.9e+07
_exptl_crystal_density_diffrn    4.249
_cod_original_formula_sum        'Si3 Fe2 Ca3 O12'
_cod_database_code               9001189
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments sample in air
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001190
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments sample in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum
'Al1.95 Ca0.39 Fe0.658 Mg2.002 Mn0.021 O12 Si2.916 Ti0.024'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.548
_cell_length_b                   11.548
_cell_length_c                   11.548
_cell_volume                     1539.999
_database_code_amcsd             0001213
_exptl_crystal_density_diffrn    3.708
_cod_original_formula_sum
'Si2.916 Al1.95 Mg2.002 Fe.658 Ti.024 Ca.39 Mn.021 O12'
_cod_database_code               9001190
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 2.15 GPa, conventinal refinement
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001191
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 2.15 GPa, conventinal
 refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum
'Al1.95 Ca0.39 Fe0.658 Mg2.002 Mn0.021 O12 Si2.916 Ti0.024'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.493
_cell_length_b                   11.493
_cell_length_c                   11.493
_cell_volume                     1518.099
_database_code_amcsd             0001214
_diffrn_ambient_pressure         2.15e+06
_exptl_crystal_density_diffrn    3.761
_cod_original_formula_sum
'Si2.916 Al1.95 Mg2.002 Fe.658 Ti.024 Ca.39 Mn.021 O12'
_cod_database_code               9001191
High-pressure crystal chemistry of andradite and pyrope: Revised procedures for high-pressure diffraction experiments P = 2.15 GPa, selected data refinement
Hazen, R. M.; Finger, L. W.; American Mineralogist 74 (1989) 352–359; doi:

data_9001192
_publ_section_title
;High-pressure crystal chemistry of andradite and pyrope: Revised procedures
 for high-pressure diffraction experiments P = 2.15 GPa, selected data
 refinement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              352
_journal_page_last               359
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum
'Al1.95 Ca0.39 Fe0.658 Mg2.002 Mn0.021 O12 Si2.916 Ti0.024'
_chemical_name_mineral           Pyrope
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.493
_cell_length_b                   11.493
_cell_length_c                   11.493
_cell_volume                     1518.099
_database_code_amcsd             0001215
_diffrn_ambient_pressure         2.15e+06
_exptl_crystal_density_diffrn    3.761
_cod_original_formula_sum
'Si2.916 Al1.95 Mg2.002 Fe.658 Ti.024 Ca.39 Mn.021 O12'
_cod_database_code               9001192
Cation ordering in Ni-Mg olivines sample Ni.30B, synthesized at 902 C, then quenched Mg1.4Ni.6SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001193
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.30B, synthesized at 902 C, then quenched
 Mg1.4Ni.6SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.4 Ni0.6 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                   4.7458
_cell_length_b                   10.1986
_cell_length_c                   5.9563
_cell_formula_units_Z            4
_cell_volume                     288.288
_database_code_amcsd             0001216
_exptl_crystal_density_diffrn    3.717
_exptl_crystal_thermal_history   'synthesized at 902 C, then quenched'
_cod_original_formula_sum        '(Mg1.4 Ni.6) Si O4'
_cod_database_code               9001193
Cation ordering in Ni-Mg olivines sample Ni.30B, heated at 1150 C, then quenched Mg1.4Ni.6SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001194
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.30B, heated at 1150 C, then quenched
 Mg1.4Ni.6SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.384 Ni0.616 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                   4.7453
_cell_length_b                   10.1926
_cell_length_c                   5.9559
_cell_formula_units_Z            4
_cell_volume                     288.069
_database_code_amcsd             0001217
_exptl_crystal_density_diffrn    3.732
_exptl_crystal_thermal_history   'heated at 1150 C, then quenched'
_cod_original_formula_sum        '(Ni.616 Mg1.384) Si O4'
_cod_database_code               9001194
Cation ordering in Ni-Mg olivines sample Ni.30B, heated at 1300 C, then quenched Mg1.4Ni.6SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001195
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.30B, heated at 1300 C, then quenched
 Mg1.4Ni.6SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.383 Ni0.617 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                   4.7452
_cell_length_b                   10.1909
_cell_length_c                   5.9583
_cell_formula_units_Z            4
_cell_volume                     288.131
_database_code_amcsd             0001218
_exptl_crystal_density_diffrn    3.732
_exptl_crystal_thermal_history   'heated at 1300 C, then quenched'
_cod_original_formula_sum        '(Ni.617 Mg1.383) Si O4'
_cod_database_code               9001195
Cation ordering in Ni-Mg olivines sample Ni.30A, synthesized at 902 C, then quenched Mg1.4Ni.6SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001196
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.30A, synthesized at 902 C, then quenched
 Mg1.4Ni.6SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.402 Ni0.598 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                   4.7466
_cell_length_b                   10.2003
_cell_length_c                   5.9556
_cell_formula_units_Z            4
_cell_volume                     288.351
_database_code_amcsd             0001219
_exptl_crystal_density_diffrn    3.715
_exptl_crystal_thermal_history   'synthesized at 902 C, then quenched'
_cod_original_formula_sum        '(Ni.598 Mg1.402) Si O4'
_cod_database_code               9001196
Cation ordering in Ni-Mg olivines sample Ni.30A, heated to 800 C, then quenched Mg1.4Ni.6SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001197
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.30A, heated to 800 C, then quenched
 Mg1.4Ni.6SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.403 Ni0.597 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                   4.7459
_cell_length_b                   10.1950
_cell_length_c                   5.9559
_cell_formula_units_Z            4
_cell_volume                     288.173
_database_code_amcsd             0001220
_exptl_crystal_density_diffrn    3.716
_exptl_crystal_thermal_history   'heated to 800 C, then quenched'
_cod_original_formula_sum        '(Ni.597 Mg1.403) Si O4'
_cod_database_code               9001197
Cation ordering in Ni-Mg olivines sample Ni.51, synthesized at 890 C, then quenched MgNiSiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001198
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.51, synthesized at 890 C, then quenched
 MgNiSiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.966 Ni1.034 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                   4.7392
_cell_length_b                   10.1939
_cell_length_c                   5.9432
_cell_formula_units_Z            4
_cell_volume                     287.122
_database_code_amcsd             0001221
_exptl_crystal_density_diffrn    4.077
_exptl_crystal_thermal_history   'synthesized at 890 C, then quenched'
_cod_original_formula_sum        '(Ni1.034 Mg.966) Si O4'
_cod_database_code               9001198
Cation ordering in Ni-Mg olivines sample Ni.51, heated to 1150 C, then quenched MgNiSiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001199
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.51, heated to 1150 C, then quenched
 MgNiSiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.97 Ni1.03 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                   4.7431
_cell_length_b                   10.1765
_cell_length_c                   5.9401
_cell_formula_units_Z            4
_cell_volume                     286.718
_database_code_amcsd             0001222
_exptl_crystal_density_diffrn    4.080
_exptl_crystal_thermal_history   'heated to 1150 C, then quenched'
_cod_original_formula_sum        '(Mg.97 Ni1.03) Si O4'
_cod_database_code               9001199
Cation ordering in Ni-Mg olivines sample Ni.51, heated to 1300 C, then quenched MgNiSiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001200
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.51, heated to 1300 C, then quenched
 MgNiSiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg1.001 Ni0.999 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                   4.7398
_cell_length_b                   10.1773
_cell_length_c                   5.9443
_cell_formula_units_Z            4
_cell_volume                     286.743
_database_code_amcsd             0001223
_exptl_crystal_density_diffrn    4.055
_exptl_crystal_thermal_history   'heated to 1300 C, then quenched'
_cod_original_formula_sum        '(Ni.999 Mg1.001) Si O4'
_cod_database_code               9001200
Cation ordering in Ni-Mg olivines sample Ni.63, synthesized at 900 C, then quenched Mg.634Ni1.363SiO4
Ottonello, G.; Della Giusta, A.; Molin, G. M.; American Mineralogist 74 (1989) 411–421; doi:

data_9001201
_publ_section_title
;
 Cation ordering in Ni-Mg olivines
 sample Ni.63, synthesized at 900 C, then quenched
 Mg.634Ni1.363SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              411
_journal_page_last               421
_journal_volume                  74
_journal_year                    1989
_chemical_formula_sum            'Mg0.66 Ni1.34 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                   4.7393
_cell_length_b                   10.1620
_cell_length_c                   5.9330
_cell_formula_units_Z            4
_cell_volume                     285.738
_database_code_amcsd             0001224
_exptl_crystal_density_diffrn    4.342
_exptl_crystal_thermal_history   'synthesized at 900 C, then quenched'
_cod_original_formula_sum        '(Ni1.34 Mg.66) Si O4'
_cod_database_code               9001201