LMucko/crystallography-open-database huggingface dataset:
Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 1
Ross, N. L.; Hazen, R. M.; Physics and Chemistry of Minerals 16 (1989) 415–420; doi:

data_9005869
_publ_section_title
;
 Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K
 Sample: Crystal 1
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              415
_journal_page_last               420
_journal_volume                  16
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Bridgmanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7786
_cell_length_b                   4.9293
_cell_length_c                   6.9003
_cell_formula_units_Z            4
_cell_volume                     162.538
_database_code_amcsd             0007451
_exptl_crystal_density_diffrn    4.102
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005869
Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K Sample: Crystal 2
Ross, N. L.; Hazen, R. M.; Physics and Chemistry of Minerals 16 (1989) 415–420; doi:

data_9005870
_publ_section_title
;
 Single crystal X-ray diffraction study of MgSiO3 perovskite from 77 to 400 K
 Sample: Crystal 2
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              415
_journal_page_last               420
_journal_volume                  16
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_structural     MgSiO3
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Bridgmanite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7747
_cell_length_b                   4.9319
_cell_length_c                   6.8987
_cell_formula_units_Z            4
_cell_volume                     162.453
_database_code_amcsd             0007452
_exptl_crystal_density_diffrn    4.105
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9005870
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 295 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005871
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 295 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_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                 90.266
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0387
_cell_length_b                   8.8204
_cell_length_c                   5.8640
_cell_volume                     674.391
_database_code_amcsd             0007453
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    4.026
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005871
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 320 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005872
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 320 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_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                 90.244
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0398
_cell_length_b                   8.8217
_cell_length_c                   5.8644
_cell_volume                     674.595
_database_code_amcsd             0007454
_diffrn_ambient_temperature      320
_exptl_crystal_density_diffrn    4.025
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005872
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 340 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005873
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 340 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_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                 90.124
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0466
_cell_length_b                   8.8268
_cell_length_c                   5.8647
_cell_volume                     675.376
_database_code_amcsd             0007455
_diffrn_ambient_temperature      340
_exptl_crystal_density_diffrn    4.020
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005873
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 360 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005874
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 360 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_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                 90.029
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0497
_cell_length_b                   8.8291
_cell_length_c                   5.8652
_cell_volume                     675.771
_database_code_amcsd             0007456
_diffrn_ambient_temperature      360
_exptl_crystal_density_diffrn    4.018
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005874
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 380 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005875
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 380 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.05330
_cell_length_b                   8.83450
_cell_length_c                   5.86740
_cell_volume                     676.625
_database_code_amcsd             0007457
_diffrn_ambient_temperature      380
_exptl_crystal_density_diffrn    4.013
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005875
Phase transitions in ilvaite, a mixed-valence iron silicate II. A single-crystal X-ray diffraction study and Landau theory of the monoclinic to orthorhombic phase transition induced by charge delocalization Sample: T = 400 K
Ghose, S.; Tsukimura, K.; Hatch, D. M.; Physics and Chemistry of Minerals 16 (1989) 483–496; doi:

data_9005876
_publ_section_title
;
 Phase transitions in ilvaite, a mixed-valence iron silicate
 II. A single-crystal X-ray diffraction study and Landau theory of the
 monoclinic to orthorhombic phase transition induced by charge delocalization
 Sample: T = 400 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              483
_journal_page_last               496
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Ca Fe3 H O9 Si2'
_chemical_name_mineral           Ilvaite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.0531
_cell_length_b                   8.8344
_cell_length_c                   5.8692
_cell_volume                     676.814
_database_code_amcsd             0007458
_diffrn_ambient_temperature      400
_exptl_crystal_density_diffrn    4.012
_cod_original_formula_sum        'Fe3 Ca Si2 O9 H'
_cod_database_code               9005876
Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 440 K
Percival, M. J. L.; Schmahl, W. W.; Salje, E.; Physics and Chemistry of Minerals 16 (1989) 569–575; doi:10.1007/BF00202213

data_9005877
_publ_section_title
;
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 440 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              569
_journal_page_last               575
_journal_paper_doi               10.1007/BF00202213
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Cd2 K2 O12 S3'
_chemical_name_mineral           Langbeinite
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2643
_cell_length_b                   10.2643
_cell_length_c                   10.2643
_cell_formula_units_Z            4
_cell_volume                     1081.404
_database_code_amcsd             0007459
_diffrn_ambient_temperature      440
_exptl_crystal_density_diffrn    3.631
_cod_original_formula_sum        'K2 Cd2 S3 O12'
_cod_database_code               9005877
_amcsd_formula_title             K2Cd2(SO4)3
Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 540 K
Percival, M. J. L.; Schmahl, W. W.; Salje, E.; Physics and Chemistry of Minerals 16 (1989) 569–575; doi:10.1007/BF00202213

data_9005878
_publ_section_title
;
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 540 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              569
_journal_page_last               575
_journal_paper_doi               10.1007/BF00202213
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Cd2 K2 O12 S3'
_chemical_name_mineral           Langbeinite
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2850
_cell_length_b                   10.2850
_cell_length_c                   10.2850
_cell_formula_units_Z            4
_cell_volume                     1087.960
_database_code_amcsd             0007460
_diffrn_ambient_temperature      540
_exptl_crystal_density_diffrn    3.609
_cod_original_formula_sum        'K2 Cd2 S3 O12'
_cod_database_code               9005878
_amcsd_formula_title             K2Cd2(SO4)3
Structure of cobalt doped K2Cd2(SO4)3 langbeinite at three temperatures above the P2_13-P2_12_12_1 phase transition, and a new trigger mechanism for the ferroelastic transformation Sample: T = 640 K
Percival, M. J. L.; Schmahl, W. W.; Salje, E.; Physics and Chemistry of Minerals 16 (1989) 569–575; doi:10.1007/BF00202213

data_9005879
_publ_section_title
;
 Structure of cobalt doped K2Cd2(SO4)3 langbeinite at
 three temperatures above the P2_13-P2_12_12_1 phase transition,
 and a new trigger mechanism for the ferroelastic transformation
 Sample: T = 640 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              569
_journal_page_last               575
_journal_paper_doi               10.1007/BF00202213
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Cd2 K2 O12 S3'
_chemical_name_mineral           Langbeinite
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.3043
_cell_length_b                   10.3043
_cell_length_c                   10.3043
_cell_formula_units_Z            4
_cell_volume                     1094.096
_database_code_amcsd             0007461
_diffrn_ambient_temperature      640
_exptl_crystal_density_diffrn    3.589
_cod_original_formula_sum        'K2 Cd2 S3 O12'
_cod_database_code               9005879
_amcsd_formula_title             K2Cd2(SO4)3
A new phase transition in MnTiO3: LiNbO3-perovskite structure Sample: P = 4.5 GPa
Ross, N. L.; Ko, J.; Prewitt, C. T.; Physics and Chemistry of Minerals 16 (1989) 621–629; doi:

data_9005880
_publ_section_title
;
 A new phase transition in MnTiO3: LiNbO3-perovskite structure
 Sample: P = 4.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              621
_journal_page_last               629
_journal_volume                  16
_journal_year                    1989
_chemical_formula_structural     MnTiO3
_chemical_formula_sum            'Mn O3 Ti'
_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                   5.1048
_cell_length_b                   5.3046
_cell_length_c                   7.418
_cell_formula_units_Z            4
_cell_volume                     200.871
_database_code_amcsd             0007462
_diffrn_ambient_pressure         4.5e+06
_exptl_crystal_density_diffrn    4.987
_cod_original_formula_sum        'Mn Ti O3'
_cod_database_code               9005880
_amcsd_formula_title             MnTiO3
CdGeO3-phase transformations at high pressure and temperature and structural refinement of the perovskite polymorph
Susaki, J.; Physics and Chemistry of Minerals 16 (1989) 634–641; doi:

data_9005881
_publ_section_title
;
 CdGeO3-phase transformations at high pressure and temperature
 and structural refinement of the perovskite polymorph
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              634
_journal_page_last               641
_journal_volume                  16
_journal_year                    1989
_chemical_formula_structural     CdGeO3
_chemical_formula_sum            'Cd Ge O3'
_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                   5.2114
_cell_length_b                   5.2608
_cell_length_c                   7.4263
_cell_formula_units_Z            4
_cell_volume                     203.600
_database_code_amcsd             0007463
_exptl_crystal_density_diffrn    7.602
_cod_database_code               9005881
_amcsd_formula_title             CdGeO3
Magnetic order in acmite; NaFeSi2O6 Sample: T = 14 K
Ballet, O.; Coey, J. M. D.; Fillion, G.; Ghose, A.; Hewat, A. W.; Regnard, J. R.; Physics and Chemistry of Minerals 16 (1989) 672–677; doi:

data_9005882
_publ_section_title
;
 Magnetic order in acmite; NaFeSi2O6
 Sample: T = 14 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              672
_journal_page_last               677
_journal_volume                  16
_journal_year                    1989
_chemical_formula_sum            'Fe0.992 Na0.978 O6 Si1.96'
_chemical_name_mineral           Aegirine
_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                 107.3
_cell_angle_gamma                90
_cell_length_a                   9.68
_cell_length_b                   8.83
_cell_length_c                   5.30
_cell_formula_units_Z            4
_cell_volume                     432.520
_database_code_amcsd             0007464
_diffrn_ambient_temperature      14
_exptl_crystal_density_diffrn    3.516
_cod_original_formula_sum        'Fe.992 Na.978 Si1.96 O6'
_cod_database_code               9005882
The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 10 C
Hill, R. J.; Jackson, I.; Physics and Chemistry of Minerals 17 (1990) 89–96; doi:10.1007/BF00209229

data_9005883
_publ_section_title
;
 The thermal expansion of ScAlO3 - a silicate perovskite analogue
 Sample: T = 10 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              89
_journal_page_last               96
_journal_paper_doi               10.1007/BF00209229
_journal_volume                  17
_journal_year                    1990
_chemical_formula_structural     ScAlO3
_chemical_formula_sum            'Al O3 Sc'
_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                   4.9370
_cell_length_b                   5.2321
_cell_length_c                   7.2045
_cell_formula_units_Z            4
_cell_volume                     186.099
_database_code_amcsd             0007465
_diffrn_ambient_temperature      283.15
_exptl_crystal_density_diffrn    4.281
_cod_original_formula_sum        'Sc Al O3'
_cod_database_code               9005883
_amcsd_formula_title             ScAlO3
The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 500 C
Hill, R. J.; Jackson, I.; Physics and Chemistry of Minerals 17 (1990) 89–96; doi:10.1007/BF00209229

data_9005884
_publ_section_title
;
 The thermal expansion of ScAlO3 - a silicate perovskite analogue
 Sample: T = 500 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              89
_journal_page_last               96
_journal_paper_doi               10.1007/BF00209229
_journal_volume                  17
_journal_year                    1990
_chemical_formula_structural     ScAlO3
_chemical_formula_sum            'Al O3 Sc'
_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                   4.9597
_cell_length_b                   5.2471
_cell_length_c                   7.2353
_cell_formula_units_Z            4
_cell_volume                     188.292
_database_code_amcsd             0007466
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    4.231
_cod_original_formula_sum        'Sc Al O3'
_cod_database_code               9005884
_amcsd_formula_title             ScAlO3
The thermal expansion of ScAlO3 - a silicate perovskite analogue Sample: T = 800 C
Hill, R. J.; Jackson, I.; Physics and Chemistry of Minerals 17 (1990) 89–96; doi:10.1007/BF00209229

data_9005885
_publ_section_title
;
 The thermal expansion of ScAlO3 - a silicate perovskite analogue
 Sample: T = 800 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              89
_journal_page_last               96
_journal_paper_doi               10.1007/BF00209229
_journal_volume                  17
_journal_year                    1990
_chemical_formula_structural     ScAlO3
_chemical_formula_sum            'Al O3 Sc'
_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                   4.9767
_cell_length_b                   5.2584
_cell_length_c                   7.2604
_cell_formula_units_Z            4
_cell_volume                     190.001
_database_code_amcsd             0007467
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    4.193
_cod_original_formula_sum        'Sc Al O3'
_cod_database_code               9005885
_amcsd_formula_title             ScAlO3