LMucko/crystallography-open-database huggingface dataset:
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: Ca.35Sr.65TiO3, x = 0.65
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002805
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: Ca.35Sr.65TiO3, x = 0.65
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.35 O3 Sr0.65 Ti'
_chemical_name_mineral           Tausonite
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4801
_cell_length_b                   5.4801
_cell_length_c                   7.7619
_cell_formula_units_Z            4
_cell_volume                     233.101
_database_code_amcsd             0002894
_exptl_crystal_density_diffrn    4.755
_cod_original_formula_sum        '(Ca.35 Sr.65) Ti O3'
_cod_database_code               9002805
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: SrTiO3, x = 1.0
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002806
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: SrTiO3, x = 1.0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'O3 Sr Ti'
_chemical_name_mineral           Tausonite
_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                   5.5202
_cell_length_b                   5.5202
_cell_length_c                   7.8067
_cell_formula_units_Z            4
_cell_volume                     237.891
_database_code_amcsd             0002895
_exptl_crystal_density_diffrn    5.123
_cod_original_cell_volume        237.890
_cod_original_formula_sum        'Sr Ti O3'
_cod_database_code               9002806
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: P = 4.1 GPa, Ca.35Sr.65TiO3
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002807
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: P = 4.1 GPa, Ca.35Sr.65TiO3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.35 O3 Sr0.65 Ti'
_chemical_name_mineral           Tausonite
_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                   5.423
_cell_length_b                   5.420
_cell_length_c                   7.647
_cell_formula_units_Z            4
_cell_volume                     224.766
_database_code_amcsd             0002896
_diffrn_ambient_pressure         4.1e+06
_exptl_crystal_density_diffrn    4.931
_cod_original_formula_sum        '(Ca.35 Sr.65) Ti O3'
_cod_database_code               9002807
Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure Sample: P = 7.0 GPa, Ca.35Sr.65TiO3
Yamanaka, T.; Hirai, M.; Komatsu, Y.; American Mineralogist 87 (2002) 1183–1189; doi:

data_9002808
_publ_section_title
;
 Structure change of Ca1-xSrxTiO3 perovskite with composition and pressure
 Sample: P = 7.0 GPa, Ca.35Sr.65TiO3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1183
_journal_page_last               1189
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Ca0.35 O3 Sr0.65 Ti'
_chemical_name_mineral           Tausonite
_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                   5.415
_cell_length_b                   5.412
_cell_length_c                   7.637
_cell_formula_units_Z            4
_cell_volume                     223.810
_database_code_amcsd             0002897
_diffrn_ambient_pressure         7e+06
_exptl_crystal_density_diffrn    4.952
_cod_original_formula_sum        '(Ca.35 Sr.65) Ti O3'
_cod_database_code               9002808
Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: The occurence and crystal structure
Britvin, S. N.; Rudashevsky, N. S.; Krivovichev, S. V.; Burns, P. C.; Polekhovsky, Y. S.; American Mineralogist 87 (2002) 1245–1249; doi:

data_9002809
_publ_section_title
;
 Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite:
 The occurence and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1245
_journal_page_last               1249
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Fe1.5 Ni0.5 P'
_chemical_name_mineral           Allabogdanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.792
_cell_length_b                   3.564
_cell_length_c                   6.691
_cell_formula_units_Z            4
_cell_volume                     138.120
_database_code_amcsd             0002898
_exptl_crystal_density_diffrn    6.929
_cod_original_formula_sum        '(Fe1.5 Ni.5) P'
_cod_database_code               9002809
Structural refinements of magnesite at very high pressure Sample: P = 23.1 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002810
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 23.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.4818
_cell_length_b                   4.4818
_cell_length_c                   13.9150
_cell_formula_units_Z            6
_cell_volume                     242.058
_database_code_amcsd             0002899
_diffrn_ambient_pressure         2.31e+07
_exptl_crystal_density_diffrn    3.470
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002810
Structural refinements of magnesite at very high pressure Sample: P = 29.9 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002811
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 29.9 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.4560
_cell_length_b                   4.4560
_cell_length_c                   13.7092
_cell_formula_units_Z            6
_cell_volume                     235.740
_database_code_amcsd             0002900
_diffrn_ambient_pressure         2.99e+07
_exptl_crystal_density_diffrn    3.563
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002811
Structural refinements of magnesite at very high pressure Sample: P = 41.3 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002812
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 41.3 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.4044
_cell_length_b                   4.4044
_cell_length_c                   13.3797
_cell_formula_units_Z            6
_cell_volume                     224.776
_database_code_amcsd             0002901
_diffrn_ambient_pressure         4.13e+07
_exptl_crystal_density_diffrn    3.737
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002812
Structural refinements of magnesite at very high pressure Sample: P = 45.6 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002813
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 45.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3895
_cell_length_b                   4.3895
_cell_length_c                   13.2938
_cell_formula_units_Z            6
_cell_volume                     221.825
_database_code_amcsd             0002902
_diffrn_ambient_pressure         4.56e+07
_exptl_crystal_density_diffrn    3.787
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002813
Structural refinements of magnesite at very high pressure Sample: P = 51.8 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002814
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 51.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3675
_cell_length_b                   4.3675
_cell_length_c                   13.1387
_cell_formula_units_Z            6
_cell_volume                     217.045
_database_code_amcsd             0002903
_diffrn_ambient_pressure         5.18e+07
_exptl_crystal_density_diffrn    3.870
_cod_original_cell_volume        217.044
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002814
Structural refinements of magnesite at very high pressure Sample: P = 56.6 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002815
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 56.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3530
_cell_length_b                   4.3530
_cell_length_c                   13.0325
_cell_formula_units_Z            6
_cell_volume                     213.863
_database_code_amcsd             0002904
_diffrn_ambient_pressure         5.66e+07
_exptl_crystal_density_diffrn    3.928
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002815
Structural refinements of magnesite at very high pressure Sample: P = 60.2 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002816
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 60.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3401
_cell_length_b                   4.3401
_cell_length_c                   12.9538
_cell_formula_units_Z            6
_cell_volume                     211.314
_database_code_amcsd             0002905
_diffrn_ambient_pressure         6.02e+07
_exptl_crystal_density_diffrn    3.975
_cod_original_cell_volume        211.313
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002816
Structural refinements of magnesite at very high pressure Sample: P = 70.7 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002817
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 70.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3138
_cell_length_b                   4.3138
_cell_length_c                   12.7762
_cell_formula_units_Z            6
_cell_volume                     205.898
_database_code_amcsd             0002906
_diffrn_ambient_pressure         7.07e+07
_exptl_crystal_density_diffrn    4.080
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002817
Structural refinements of magnesite at very high pressure Sample: P = 71.2 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002818
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 71.2 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3102
_cell_length_b                   4.3102
_cell_length_c                   12.7451
_cell_formula_units_Z            6
_cell_volume                     205.054
_database_code_amcsd             0002907
_diffrn_ambient_pressure         7.12e+07
_exptl_crystal_density_diffrn    4.097
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002818
Structural refinements of magnesite at very high pressure Sample: P = 75.7 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002819
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 75.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2981
_cell_length_b                   4.2981
_cell_length_c                   12.6690
_cell_formula_units_Z            6
_cell_volume                     202.687
_database_code_amcsd             0002908
_diffrn_ambient_pressure         7.57e+07
_exptl_crystal_density_diffrn    4.145
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002819
Structural refinements of magnesite at very high pressure Sample: P = 82.6 GPa
Fiquet, G.; Guyot, F.; Kunz, M.; Matas, J.; Andrault, D.; Hanfland, M.; American Mineralogist 87 (2002) 1261–1265; doi:

data_9002820
_publ_section_title
;
 Structural refinements of magnesite at very high pressure
 Sample: P = 82.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1261
_journal_page_last               1265
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mg(CO3)
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2783
_cell_length_b                   4.2783
_cell_length_c                   12.5461
_cell_formula_units_Z            6
_cell_volume                     198.876
_database_code_amcsd             0002909
_diffrn_ambient_pressure         8.26e+07
_exptl_crystal_density_diffrn    4.224
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9002820
High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 1 atm
Ferro, O.; Quartieri, S.; Vezzalini, G.; Fois, E.; Gamba, A.; Tabacchi, G.; American Mineralogist 87 (2002) 1415–1425; doi:

data_9002821
_publ_section_title
;
 High-pressure behaviour of bikitaite: An integrated theoretical
 and experimental approach
 Sample at P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1415
_journal_page_last               1425
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Li2[Al2Si4O12]*2(H2O)
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.94(6)
_cell_angle_beta                 114.407(9)
_cell_angle_gamma                89.98(5)
_cell_length_a                   8.6061(11)
_cell_length_b                   4.9573(4)
_cell_length_c                   7.5970(7)
_cell_formula_units_Z            2
_cell_volume                     295.14(6)
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.297
_cod_original_formula_sum        'Li Si2 Al O7 H2'
_cod_struct_determination_method theoretical
_cod_database_code               9002821
High-pressure behaviour of bikitaite: An integrated theoretical and experimental approach Sample at P = 5.7 GPa
Ferro, O.; Quartieri, S.; Vezzalini, G.; Fois, E.; Gamba, A.; Tabacchi, G.; American Mineralogist 87 (2002) 1415–1425; doi:

data_9002822
_publ_section_title
;
 High-pressure behaviour of bikitaite: An integrated theoretical
 and experimental approach
 Sample at P = 5.7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1415
_journal_page_last               1425
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Li2[Al2Si4O12]*2(H2O)
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.804(29)
_cell_angle_beta                 114.794(13)
_cell_angle_gamma                89.442(20)
_cell_length_a                   8.4932(16)
_cell_length_b                   4.7773(6)
_cell_length_c                   7.2443(9)
_cell_formula_units_Z            2
_cell_volume                     266.81(7)
_database_code_amcsd             0002911
_diffrn_ambient_pressure         5.7e+06
_exptl_crystal_density_diffrn    2.541
_cod_original_formula_sum        'Li Si2 Al O7 H2'
_cod_struct_determination_method theoretical
_cod_database_code               9002822