LMucko/crystallography-open-database huggingface dataset:
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample in diamond anvil cell: P = 0.0001 GPa
Miletich, R.; Nowak, M.; Seifert, F.; Angel, R. J.; Brandstatter, G.; Physics and Chemistry of Minerals 26 (1999) 446–459; doi:10.1007/s002690050207

data_9006641
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample in diamond anvil cell: P = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7007
_cell_length_b                   11.1653
_cell_length_c                   9.5850
_cell_formula_units_Z            8
_cell_volume                     610.085
_database_code_amcsd             0008223
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.269
_cod_original_cell_volume        610.086
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006641
_amcsd_formula_title             Cr2SiO4
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample: P = 3.106 GPa
Miletich, R.; Nowak, M.; Seifert, F.; Angel, R. J.; Brandstatter, G.; Physics and Chemistry of Minerals 26 (1999) 446–459; doi:10.1007/s002690050207

data_9006642
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample: P = 3.106 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6804
_cell_length_b                   11.1174
_cell_length_c                   9.3842
_cell_formula_units_Z            8
_cell_volume                     592.624
_database_code_amcsd             0008224
_diffrn_ambient_pressure         3.106e+06
_exptl_crystal_density_diffrn    4.395
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006642
_amcsd_formula_title             Cr2SiO4
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample: P = 5.303 GPa
Miletich, R.; Nowak, M.; Seifert, F.; Angel, R. J.; Brandstatter, G.; Physics and Chemistry of Minerals 26 (1999) 446–459; doi:10.1007/s002690050207

data_9006643
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample: P = 5.303 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6650
_cell_length_b                   11.0863
_cell_length_c                   9.2742
_cell_formula_units_Z            8
_cell_volume                     582.456
_database_code_amcsd             0008225
_diffrn_ambient_pressure         5.303e+06
_exptl_crystal_density_diffrn    4.472
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006643
_amcsd_formula_title             Cr2SiO4
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample: P = 7.300 GPa
Miletich, R.; Nowak, M.; Seifert, F.; Angel, R. J.; Brandstatter, G.; Physics and Chemistry of Minerals 26 (1999) 446–459; doi:10.1007/s002690050207

data_9006644
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample: P = 7.300 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6512
_cell_length_b                   11.0598
_cell_length_c                   9.1910
_cell_formula_units_Z            8
_cell_volume                     574.448
_database_code_amcsd             0008226
_diffrn_ambient_pressure         7.3e+06
_exptl_crystal_density_diffrn    4.534
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006644
_amcsd_formula_title             Cr2SiO4
High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4. A single-crystal X-ray diffraction and electronic absorption spectroscopy study Sample: P = 9.220 GPa
Miletich, R.; Nowak, M.; Seifert, F.; Angel, R. J.; Brandstatter, G.; Physics and Chemistry of Minerals 26 (1999) 446–459; doi:10.1007/s002690050207

data_9006645
_publ_section_title
;
 High-pressure crystal chemistry of chromous orthosilicate, Cr2SiO4.
 A single-crystal X-ray diffraction and electronic absorption
 spectroscopy study
 Sample: P = 9.220 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              446
_journal_page_last               459
_journal_paper_doi               10.1007/s002690050207
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Cr2SiO4
_chemical_formula_sum            'Cr2 O4 Si'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6374
_cell_length_b                   11.0375
_cell_length_c                   9.1192
_cell_formula_units_Z            8
_cell_volume                     567.422
_database_code_amcsd             0008227
_diffrn_ambient_pressure         9.22e+06
_exptl_crystal_density_diffrn    4.590
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Cr2 Si O4'
_cod_database_code               9006645
_amcsd_formula_title             Cr2SiO4
Temperature evolution between 50 K and 320 K of the thermal expansion tensor of gypsum derived from neutron powder diffraction data Sample: T = 320 K
Knight, K. S.; Stretton, I. C.; Schofield, P. F.; Physics and Chemistry of Minerals 26 (1999) 477–483; doi:10.1007/s002690050210

data_9006646
_publ_section_title
;
 Temperature evolution between 50 K and 320 K of the
 thermal expansion tensor of gypsum derived from neutron powder
 diffraction data
 Sample: T = 320 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              477
_journal_page_last               483
_journal_paper_doi               10.1007/s002690050210
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca D4 O6 S'
_chemical_name_mineral           'Gypsum (deuterated)'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.494
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.6769
_cell_length_b                   15.2074
_cell_length_c                   6.5277
_cell_volume                     495.279
_diffrn_ambient_temperature      320
_exptl_crystal_density_diffrn    2.363
_cod_original_formula_sum        'Ca S O6 D4'
_cod_database_code               9006646
Structural and magnetic properties of Co2Al4Si5O18 and Mn2Al4Si5O18 cordierite
Knorr, K.; Meschke, M.; Winkler, B.; Physics and Chemistry of Minerals 26 (1999) 521–529; doi:10.1007/s002690050215

data_9006647
_publ_section_title
;
 Structural and magnetic properties of Co2Al4Si5O18
 and Mn2Al4Si5O18 cordierite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              521
_journal_page_last               529
_journal_paper_doi               10.1007/s002690050215
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Co2Al4Si5O18
_chemical_formula_sum            'Al4 Co2 O18 Si5'
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.841
_cell_length_b                   9.841
_cell_length_c                   9.372
_cell_formula_units_Z            2
_cell_volume                     786.034
_database_code_amcsd             0008229
_exptl_crystal_density_diffrn    2.764
_cod_original_formula_sum        'Co2 (Al4 Si5) O18'
_cod_database_code               9006647
_amcsd_formula_title             Co2Al4Si5O18
Structural and magnetic properties of Co2Al4Si5O18 and Mn2Al4Si5O18 cordierite
Knorr, K.; Meschke, M.; Winkler, B.; Physics and Chemistry of Minerals 26 (1999) 521–529; doi:10.1007/s002690050215

data_9006648
_publ_section_title
;
 Structural and magnetic properties of Co2Al4Si5O18
 and Mn2Al4Si5O18 cordierite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              521
_journal_page_last               529
_journal_paper_doi               10.1007/s002690050215
_journal_volume                  26
_journal_year                    1999
_chemical_formula_structural     Mn2Al4Si5O18
_chemical_formula_sum            'Al4 Mn2 O18 Si5'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.128
_cell_length_b                   9.764
_cell_length_c                   9.147
_cell_formula_units_Z            4
_cell_volume                     1529.724
_database_code_amcsd             0008230
_exptl_crystal_density_diffrn    2.806
_cod_original_formula_sum        'Mn2 Al4 Si5 O18'
_cod_database_code               9006648
_amcsd_formula_title             Mn2Al4Si5O18
Study of laser heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample: P = 61 GPa, T = 300 K
Dubrovinsky, L. S.; Lazor, P.; Saxena, S. K.; Haggkvist, P.; Weber, H. P.; Le Bihan, T.; Hausermann, D.; Physics and Chemistry of Minerals 26 (1999) 539–545; doi:10.1007/s002690050217

data_9006649
_publ_section_title
;
 Study of laser heated iron using third generation synchrotron
 X-ray radiation facility with imaging plate at high pressures
 Sample: P = 61 GPa, T = 300 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              539
_journal_page_last               545
_journal_paper_doi               10.1007/s002690050217
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_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                   3.899
_cell_length_b                   3.899
_cell_length_c                   3.899
_cell_formula_units_Z            4
_cell_volume                     59.273
_database_code_amcsd             0008231
_diffrn_ambient_pressure         6.1e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.516
_exptl_crystal_pressure_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample: P = 61 GPa
;
_exptl_crystal_thermal_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample: P = 61 GPa, T = 300 K
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9006649
Study of laser heated iron using third generation synchrotron X-ray radiation facility with imaging plate at high pressures Sample: P = 61 GPa, T = 1550 K
Dubrovinsky, L. S.; Lazor, P.; Saxena, S. K.; Haggkvist, P.; Weber, H. P.; Le Bihan, T.; Hausermann, D.; Physics and Chemistry of Minerals 26 (1999) 539–545; doi:10.1007/s002690050217

data_9006650
_publ_section_title
;
 Study of laser heated iron using third generation synchrotron
 X-ray radiation facility with imaging plate at high pressures
 Sample: P = 61 GPa, T = 1550 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              539
_journal_page_last               545
_journal_paper_doi               10.1007/s002690050217
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_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                   3.897
_cell_length_b                   3.897
_cell_length_c                   3.897
_cell_formula_units_Z            4
_cell_volume                     59.182
_database_code_amcsd             0008232
_diffrn_ambient_pressure         6.1e+07
_diffrn_ambient_temperature      1550
_exptl_crystal_density_diffrn    4.523
_exptl_crystal_pressure_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample: P = 61 GPa
;
_exptl_crystal_thermal_history
;heated iron using third generation synchrotron X-ray radiation facility with
 imaging plate at high pressures Sample: P = 61 GPa, T = 1550 K
;
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9006650
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 300 K
Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.; Physics and Chemistry of Minerals 26 (1999) 546–553; doi:10.1007/s002690050218

data_9006651
_publ_section_title
;
 An infrared spectroscopic and single-crystal X-ray study
 of malayaite, CaSnSiO5
 Sample: T = 300 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              546
_journal_page_last               553
_journal_paper_doi               10.1007/s002690050218
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.38
_cell_angle_gamma                90
_cell_length_a                   7.156
_cell_length_b                   8.875
_cell_length_c                   6.660
_cell_formula_units_Z            4
_cell_volume                     388.244
_database_code_amcsd             0008233
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.566
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9006651
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 450 K
Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.; Physics and Chemistry of Minerals 26 (1999) 546–553; doi:10.1007/s002690050218

data_9006652
_publ_section_title
;
 An infrared spectroscopic and single-crystal X-ray study
 of malayaite, CaSnSiO5
 Sample: T = 450 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              546
_journal_page_last               553
_journal_paper_doi               10.1007/s002690050218
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.34
_cell_angle_gamma                90
_cell_length_a                   7.160
_cell_length_b                   8.897
_cell_length_c                   6.672
_cell_formula_units_Z            4
_cell_volume                     390.244
_database_code_amcsd             0008234
_diffrn_ambient_temperature      450
_exptl_crystal_density_diffrn    4.542
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9006652
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 550 K Note: U33 for O1 has been altered by personal communication with authors, Dec 2003
Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.; Physics and Chemistry of Minerals 26 (1999) 546–553; doi:10.1007/s002690050218

data_9006653
_publ_section_title
;An infrared spectroscopic and single-crystal X-ray study of malayaite,
 CaSnSiO5 Sample: T = 550 K Note: U33 for O1 has been altered by personal
 communication with authors, Dec 2003
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              546
_journal_page_last               553
_journal_paper_doi               10.1007/s002690050218
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.39
_cell_angle_gamma                90
_cell_length_a                   7.166
_cell_length_b                   8.903
_cell_length_c                   6.678
_cell_formula_units_Z            4
_cell_volume                     391.038
_database_code_amcsd             0008235
_diffrn_ambient_temperature      550
_exptl_crystal_density_diffrn    4.533
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9006653
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 670 K
Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.; Physics and Chemistry of Minerals 26 (1999) 546–553; doi:10.1007/s002690050218

data_9006654
_publ_section_title
;
 An infrared spectroscopic and single-crystal X-ray study
 of malayaite, CaSnSiO5
 Sample: T = 670 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              546
_journal_page_last               553
_journal_paper_doi               10.1007/s002690050218
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.36
_cell_angle_gamma                90
_cell_length_a                   7.173
_cell_length_b                   8.901
_cell_length_c                   6.683
_cell_formula_units_Z            4
_cell_volume                     391.714
_database_code_amcsd             0008236
_diffrn_ambient_temperature      670
_exptl_crystal_density_diffrn    4.525
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9006654
An infrared spectroscopic and single-crystal X-ray study of malayaite, CaSnSiO5 Sample: T = 730 K Note: x-coordinate of O1 altered from the value reported
Zhang, M.; Meyer, H. W.; Groat, L. A.; Bismayer, U.; Salje, E. K. H.; Adiwidjaja, G.; Physics and Chemistry of Minerals 26 (1999) 546–553; doi:10.1007/s002690050218

data_9006655
_publ_section_title
;
 An infrared spectroscopic and single-crystal X-ray study
 of malayaite, CaSnSiO5
 Sample: T = 730 K
 Note: x-coordinate of O1 altered from the value reported
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              546
_journal_page_last               553
_journal_paper_doi               10.1007/s002690050218
_journal_volume                  26
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si Sn'
_chemical_name_mineral           Malayaite
_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                 113.36
_cell_angle_gamma                90
_cell_length_a                   7.167
_cell_length_b                   8.912
_cell_length_c                   6.688
_cell_formula_units_Z            4
_cell_volume                     392.163
_database_code_amcsd             0008237
_diffrn_ambient_temperature      730
_exptl_crystal_density_diffrn    4.520
_cod_original_formula_sum        'Ca Sn Si O5'
_cod_database_code               9006655