LMucko/crystallography-open-database huggingface dataset:
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 350 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005922
_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 = 350 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                 113.811
_cell_angle_gamma                90
_cell_length_a                   7.0746
_cell_length_b                   8.7373
_cell_length_c                   6.5723
_cell_formula_units_Z            4
_cell_volume                     371.674
_database_code_amcsd             0007504
_diffrn_ambient_temperature      350
_exptl_crystal_density_diffrn    3.503
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005922
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 400 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005923
_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 = 400 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                 113.804
_cell_angle_gamma                90
_cell_length_a                   7.0730
_cell_length_b                   8.7374
_cell_length_c                   6.5716
_cell_formula_units_Z            4
_cell_volume                     371.574
_database_code_amcsd             0007505
_diffrn_ambient_temperature      400
_exptl_crystal_density_diffrn    3.504
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005923
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 430 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005924
_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 = 430 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                 113.788
_cell_angle_gamma                90
_cell_length_a                   7.0715
_cell_length_b                   8.7365
_cell_length_c                   6.5717
_cell_formula_units_Z            4
_cell_volume                     371.509
_database_code_amcsd             0007506
_diffrn_ambient_temperature      430
_exptl_crystal_density_diffrn    3.505
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005924
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 440 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005925
_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 = 440 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                 113.773
_cell_angle_gamma                90
_cell_length_a                   7.0701
_cell_length_b                   8.7405
_cell_length_c                   6.5747
_cell_formula_units_Z            4
_cell_volume                     371.818
_database_code_amcsd             0007507
_diffrn_ambient_temperature      440
_exptl_crystal_density_diffrn    3.502
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005925
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 450 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005926
_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 = 450 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                 113.768
_cell_angle_gamma                90
_cell_length_a                   7.0706
_cell_length_b                   8.7416
_cell_length_c                   6.5751
_cell_formula_units_Z            4
_cell_volume                     371.928
_database_code_amcsd             0007508
_diffrn_ambient_temperature      450
_exptl_crystal_density_diffrn    3.501
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005926
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 500 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005927
_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 = 500 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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.751
_cell_angle_gamma                90
_cell_length_a                   7.0719
_cell_length_b                   8.7464
_cell_length_c                   6.5783
_cell_formula_units_Z            4
_cell_volume                     372.430
_database_code_amcsd             0007509
_diffrn_ambient_temperature      500
_exptl_crystal_density_diffrn    3.496
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005927
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 600 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005928
_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 = 600 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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.729
_cell_angle_gamma                90
_cell_length_a                   7.0730
_cell_length_b                   8.7508
_cell_length_c                   6.5824
_cell_formula_units_Z            4
_cell_volume                     372.971
_database_code_amcsd             0007510
_diffrn_ambient_temperature      600
_exptl_crystal_density_diffrn    3.491
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005928
Paraelectric-antiferroelectric phase transition in titanite, CaTiSiO5 I. A high temperature X-ray diffraction study of the order parameter and transition mechanism Sample: T = 700 K
Ghose, S.; Ito, Y.; Hatch, D. M.; Physics and Chemistry of Minerals 17 (1991) 591–603; doi:

data_9005929
_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 = 700 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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.699
_cell_angle_gamma                90
_cell_length_a                   7.0726
_cell_length_b                   8.7558
_cell_length_c                   6.5859
_cell_formula_units_Z            4
_cell_volume                     373.447
_database_code_amcsd             0007511
_diffrn_ambient_temperature      700
_exptl_crystal_density_diffrn    3.487
_cod_original_formula_sum        'Ca Ti Si O5'
_cod_database_code               9005929
Static compression of alpha-MnS at 298 K to 21 GPa Sample: P = O GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005930
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: P = O GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.2245
_cell_length_b                   5.2245
_cell_length_c                   5.2245
_cell_volume                     142.605
_database_code_amcsd             0007512
_exptl_crystal_density_diffrn    4.052
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005930
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #146, P = 1.80 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005931
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #146, P = 1.80 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.182
_cell_length_b                   5.182
_cell_length_c                   5.182
_cell_formula_units_Z            4
_cell_volume                     139.153
_database_code_amcsd             0007513
_diffrn_ambient_pressure         1.8e+06
_exptl_crystal_density_diffrn    4.153
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005931
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #147, P = 3.01 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005932
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #147, P = 3.01 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.168
_cell_length_b                   5.168
_cell_length_c                   5.168
_cell_formula_units_Z            4
_cell_volume                     138.028
_database_code_amcsd             0007514
_diffrn_ambient_pressure         3.01e+06
_exptl_crystal_density_diffrn    4.187
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005932
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #148, P = 3.25 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005933
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #148, P = 3.25 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.157
_cell_length_b                   5.157
_cell_length_c                   5.157
_cell_formula_units_Z            4
_cell_volume                     137.149
_database_code_amcsd             0007515
_diffrn_ambient_pressure         3.25e+06
_exptl_crystal_density_diffrn    4.214
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005933
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #149, P = 3.57 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005934
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #149, P = 3.57 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.148
_cell_length_b                   5.148
_cell_length_c                   5.148
_cell_formula_units_Z            4
_cell_volume                     136.432
_database_code_amcsd             0007516
_diffrn_ambient_pressure         3.57e+06
_exptl_crystal_density_diffrn    4.236
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005934
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #150, P = 5.81 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005935
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #150, P = 5.81 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.103
_cell_length_b                   5.103
_cell_length_c                   5.103
_cell_formula_units_Z            4
_cell_volume                     132.885
_database_code_amcsd             0007517
_diffrn_ambient_pressure         5.81e+06
_exptl_crystal_density_diffrn    4.349
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005935
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #151, P = 7.19 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005936
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #151, P = 7.19 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.078
_cell_length_b                   5.078
_cell_length_c                   5.078
_cell_formula_units_Z            4
_cell_volume                     130.942
_database_code_amcsd             0007518
_diffrn_ambient_pressure         7.19e+06
_exptl_crystal_density_diffrn    4.413
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005936
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #152, P = 8.56 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005937
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #152, P = 8.56 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.051
_cell_length_b                   5.051
_cell_length_c                   5.051
_cell_formula_units_Z            4
_cell_volume                     128.864
_database_code_amcsd             0007519
_diffrn_ambient_pressure         8.56e+06
_exptl_crystal_density_diffrn    4.485
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005937
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #153, P = 7.85 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005938
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #153, P = 7.85 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.067
_cell_length_b                   5.067
_cell_length_c                   5.067
_cell_formula_units_Z            4
_cell_volume                     130.093
_database_code_amcsd             0007520
_diffrn_ambient_pressure         7.85e+06
_exptl_crystal_density_diffrn    4.442
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005938
Static compression of alpha-MnS at 298 K to 21 GPa Sample: Run #154, P = 11.3 GPa
McCammon, C. A.; Physics and Chemistry of Minerals 17 (1991) 636–641; doi:

data_9005939
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa
 Sample: Run #154, P = 11.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.022
_cell_length_b                   5.022
_cell_length_c                   5.022
_cell_formula_units_Z            4
_cell_volume                     126.657
_database_code_amcsd             0007521
_diffrn_ambient_pressure         1.13e+07
_exptl_crystal_density_diffrn    4.563
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005939