LMucko/crystallography-open-database huggingface dataset:
Location of OH groups and oxidation processes in triclinic chloritoid
Koch-Muller M; Kahlenberg, V.; Schmidt, C.; Wirth, R.; Physics and Chemistry of Minerals 27 (2000) 703–712; doi:10.1007/s002690000114

data_9006909
_publ_section_title
;
 Location of OH groups and oxidation processes in triclinic chloritoid
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              703
_journal_page_last               712
_journal_paper_doi               10.1007/s002690000114
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Al3.844 Fe0.857 H4 Mg0.598 Mn0.701 O14 Si2'
_chemical_name_mineral           Chloritoid
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.53
_cell_angle_beta                 76.68
_cell_angle_gamma                60.06
_cell_length_a                   5.4744
_cell_length_b                   5.4766
_cell_length_c                   9.1505
_cell_formula_units_Z            1
_cell_volume                     231.335
_database_code_amcsd             0008491
_exptl_crystal_density_diffrn    3.509
_cod_original_formula_sum        'Al3.844 Fe.857 Mn.701 Mg.598 Si2 (O14 H4)'
_cod_database_code               9006909
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 0 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006910
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.187
_cell_angle_gamma                90
_cell_length_a                   9.4628
_cell_length_b                   8.3882
_cell_length_c                   5.2186
_cell_formula_units_Z            4
_cell_volume                     388.785
_database_code_amcsd             0008492
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.179
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9006910
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 3.164 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006911
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 3.164 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.023
_cell_angle_gamma                90
_cell_length_a                   9.3895
_cell_length_b                   8.3240
_cell_length_c                   5.1865
_cell_formula_units_Z            4
_cell_volume                     380.865
_database_code_amcsd             0008493
_diffrn_ambient_pressure         3.164e+06
_exptl_crystal_density_diffrn    3.245
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9006911
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 3.342 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006912
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 3.342 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.274
_cell_angle_gamma                90
_cell_length_a                   9.3114
_cell_length_b                   8.3614
_cell_length_c                   5.1100
_cell_formula_units_Z            4
_cell_volume                     375.547
_database_code_amcsd             0008494
_diffrn_ambient_pressure         3.342e+06
_exptl_crystal_density_diffrn    3.291
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9006912
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 8.835 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006913
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 8.835 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.910
_cell_angle_gamma                90
_cell_length_a                   9.2007
_cell_length_b                   8.2656
_cell_length_c                   5.0240
_cell_formula_units_Z            4
_cell_volume                     361.451
_database_code_amcsd             0008495
_diffrn_ambient_pressure         8.835e+06
_exptl_crystal_density_diffrn    3.420
_cod_original_formula_sum        'Li Al Si2 O6'
_cod_database_code               9006913
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 0 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006914
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     LiScSi2O6
_chemical_formula_sum            'Li O6 Sc Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.376
_cell_angle_gamma                90
_cell_length_a                   9.7969
_cell_length_b                   8.9459
_cell_length_c                   5.3581
_cell_formula_units_Z            4
_cell_volume                     440.212
_database_code_amcsd             0008496
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.079
_cod_original_formula_sum        'Li Sc Si2 O6'
_cod_database_code               9006914
_amcsd_formula_title             LiScSi2O6
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 2.113 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006915
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 2.113 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     LiScSi2O6
_chemical_formula_sum            'Li O6 Sc Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.992
_cell_angle_gamma                90
_cell_length_a                   9.6937
_cell_length_b                   8.8958
_cell_length_c                   5.3047
_cell_formula_units_Z            4
_cell_volume                     429.876
_database_code_amcsd             0008497
_diffrn_ambient_pressure         2.113e+06
_exptl_crystal_density_diffrn    3.153
_cod_original_formula_sum        'Li Sc Si2 O6'
_cod_database_code               9006915
_amcsd_formula_title             LiScSi2O6
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 4.804 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006916
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 4.804 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     LiScSi2O6
_chemical_formula_sum            'Li O6 Sc Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.601
_cell_angle_gamma                90
_cell_length_a                   9.5954
_cell_length_b                   8.8304
_cell_length_c                   5.2448
_cell_formula_units_Z            4
_cell_volume                     418.646
_database_code_amcsd             0008498
_diffrn_ambient_pressure         4.804e+06
_exptl_crystal_density_diffrn    3.238
_cod_original_formula_sum        'Li Sc Si2 O6'
_cod_database_code               9006916
_amcsd_formula_title             LiScSi2O6
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = .321 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006917
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = .321 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     ZnSiO3
_chemical_formula_sum            'O3 Si Zn'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.294
_cell_angle_gamma                90
_cell_length_a                   9.7633
_cell_length_b                   9.1598
_cell_length_c                   5.2889
_cell_formula_units_Z            8
_cell_volume                     440.695
_database_code_amcsd             0008499
_diffrn_ambient_pressure         3.21e+05
_exptl_crystal_density_diffrn    4.265
_cod_original_formula_sum        'Zn Si O3'
_cod_database_code               9006917
_amcsd_formula_title             ZnSiO3
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 4.258 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006918
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 4.258 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     ZnSiO3
_chemical_formula_sum            'O3 Si Zn'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.443
_cell_angle_gamma                90
_cell_length_a                   9.5781
_cell_length_b                   8.8905
_cell_length_c                   5.1798
_cell_formula_units_Z            8
_cell_volume                     415.928
_database_code_amcsd             0008500
_diffrn_ambient_pressure         4.258e+06
_exptl_crystal_density_diffrn    4.519
_cod_original_formula_sum        'Zn Si O3'
_cod_database_code               9006918
_amcsd_formula_title             ZnSiO3
Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 5.304 GPa
Arlt, T.; Angel, R. J.; Physics and Chemistry of Minerals 27 (2000) 719–731; doi:10.1007/s002690000116

data_9006919
_publ_section_title
;
 Displacive phase transitions in C-centred clinopyroxenes:
 spodumene, LiScSi2O6 and ZnSiO3
 Sample: P = 5.304 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              719
_journal_page_last               731
_journal_paper_doi               10.1007/s002690000116
_journal_volume                  27
_journal_year                    2000
_chemical_formula_structural     ZnSiO3
_chemical_formula_sum            'O3 Si Zn'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.906
_cell_angle_gamma                90
_cell_length_a                   9.4098
_cell_length_b                   8.8327
_cell_length_c                   4.9800
_cell_formula_units_Z            8
_cell_volume                     401.776
_database_code_amcsd             0008501
_diffrn_ambient_pressure         5.304e+06
_exptl_crystal_density_diffrn    4.678
_cod_original_formula_sum        'Zn Si O3'
_cod_database_code               9006919
_amcsd_formula_title             ZnSiO3
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.000, synthesized at 1200 C, 6 GPa
Yamanaka, T.; Shimazu, H.; Ota, K.; Physics and Chemistry of Minerals 28 (2001) 110–118; doi:10.1007/s002690000137

data_9006920
_publ_section_title
;
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.000, synthesized at 1200 C, 6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              110
_journal_page_last               118
_journal_paper_doi               10.1007/s002690000137
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.394
_cell_length_b                   8.394
_cell_length_c                   8.394
_cell_formula_units_Z            8
_cell_volume                     591.435
_database_code_amcsd             0008502
_exptl_crystal_density_diffrn    5.201
_exptl_crystal_pressure_history  'synthesized at 1200 C, 6 GPa'
_exptl_crystal_thermal_history   'synthesized at 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9006920
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.090, synthesized at 1200 C, 6 GPa
Yamanaka, T.; Shimazu, H.; Ota, K.; Physics and Chemistry of Minerals 28 (2001) 110–118; doi:10.1007/s002690000137

data_9006921
_publ_section_title
;
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.090, synthesized at 1200 C, 6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              110
_journal_page_last               118
_journal_paper_doi               10.1007/s002690000137
_journal_volume                  28
_journal_year                    2001
_chemical_formula_sum            'Fe2.91 O4 Si0.09'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.392
_cell_length_b                   8.392
_cell_length_c                   8.392
_cell_formula_units_Z            8
_cell_volume                     591.012
_database_code_amcsd             0008503
_exptl_crystal_density_diffrn    5.148
_exptl_crystal_pressure_history  'synthesized at 1200 C, 6 GPa'
_exptl_crystal_thermal_history   'synthesized at 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2.91 Si.09) O4'
_cod_database_code               9006921
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.288, synthesized at 1200 C, 10 GPa
Yamanaka, T.; Shimazu, H.; Ota, K.; Physics and Chemistry of Minerals 28 (2001) 110–118; doi:10.1007/s002690000137

data_9006922
_publ_section_title
;
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.288, synthesized at 1200 C, 10 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              110
_journal_page_last               118
_journal_paper_doi               10.1007/s002690000137
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     Fe2.712Si.288O4
_chemical_formula_sum            'Fe2.719 O4 Si0.289'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.374
_cell_length_b                   8.374
_cell_length_c                   8.374
_cell_formula_units_Z            8
_cell_volume                     587.217
_database_code_amcsd             0008504
_exptl_crystal_density_diffrn    5.067
_exptl_crystal_pressure_history  'synthesized at 1200 C, 10 GPa'
_exptl_crystal_thermal_history   'synthesized at 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2.719 Si.289 O4'
_cod_database_code               9006922
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.750, synthesized at 1200 C, 10 GPa
Yamanaka, T.; Shimazu, H.; Ota, K.; Physics and Chemistry of Minerals 28 (2001) 110–118; doi:10.1007/s002690000137

data_9006923
_publ_section_title
;
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.750, synthesized at 1200 C, 10 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              110
_journal_page_last               118
_journal_paper_doi               10.1007/s002690000137
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     Fe2.25Si.75O4
_chemical_formula_sum            'Fe2.25 O4 Si0.75'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.286
_cell_length_b                   8.286
_cell_length_c                   8.286
_cell_formula_units_Z            8
_cell_volume                     568.898
_database_code_amcsd             0008505
_exptl_crystal_density_diffrn    4.920
_exptl_crystal_pressure_history  'synthesized at 1200 C, 10 GPa'
_exptl_crystal_thermal_history   'synthesized at 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2.25 Si.75) O4'
_cod_database_code               9006923
_amcsd_formula_title             Fe2.25Si.75O4
Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions Sample: Fe(3-x)SixO4, x = 0.920, synthesized at 1200 C, 10 GPa
Yamanaka, T.; Shimazu, H.; Ota, K.; Physics and Chemistry of Minerals 28 (2001) 110–118; doi:10.1007/s002690000137

data_9006924
_publ_section_title
;
 Electric conductivity of Fe2SiO4-Fe3O4 spinel solid solutions
 Sample: Fe(3-x)SixO4, x = 0.920, synthesized at 1200 C, 10 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              110
_journal_page_last               118
_journal_paper_doi               10.1007/s002690000137
_journal_volume                  28
_journal_year                    2001
_chemical_formula_structural     Fe2.18Si.92O4
_chemical_formula_sum            'Fe2.08 O4 Si0.92'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.256
_cell_length_b                   8.256
_cell_length_c                   8.256
_cell_formula_units_Z            8
_cell_volume                     562.742
_database_code_amcsd             0008506
_exptl_crystal_density_diffrn    4.863
_exptl_crystal_pressure_history  'synthesized at 1200 C, 10 GPa'
_exptl_crystal_thermal_history   'synthesized at 1200 C'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2.08 Si.92) O4'
_cod_database_code               9006924
_amcsd_formula_title             Fe2.18Si.92O4