LMucko/crystallography-open-database huggingface dataset:
Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles Sample: BM40798 II, T = 600 C Locality: Langban, Sweden
Reece, J. J.; Redfern, S. A. T.; Welch, M. D.; Henderson, C. M. B.; McCammon, C. A.; Physics and Chemistry of Minerals 29 (2002) 562–570; doi:10.1007/s00269-002-0267-1

data_9007148
_publ_section_title
;
 Temperature-dependent Fe-Mn order-disorder behaviour in amphiboles
 Sample: BM40798 II, T = 600 C
 Locality: Langban, Sweden
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              562
_journal_page_last               570
_journal_paper_doi               10.1007/s00269-002-0267-1
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum
'Ca0.1 Fe3.938 H2 Mg1.249 Mn1.901 O24 Si7.812'
_chemical_name_mineral           Manganogrunerite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.8796
_cell_angle_gamma                90
_cell_length_a                   9.68245
_cell_length_b                   18.3848
_cell_formula_units_Z            2
_cell_length_c                   5.34572
_cell_volume                     931.210
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.438
_cod_original_formula_sum        'Mn1.901 Fe3.938 Mg1.249 Ca.1 Si7.812 H2 O24'
_cod_database_code               9007148
The crystal chemistry of birefringent natural uvarovites. Part III. Application of the superposition model of crystal fields with a characterization of synthetic cubic uvarovite Sample: Uvasyn-22
Andrut, M.; Wildner, M.; Physics and Chemistry of Minerals 29 (2002) 595–608; doi:10.1007/s00269-002-0264-4

data_9007149
_publ_section_title
;The crystal chemistry of birefringent natural uvarovites. Part III.
 Application of the superposition model of crystal fields with a
 characterization of synthetic cubic uvarovite Sample: Uvasyn-22
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              595
_journal_page_last               608
_journal_paper_doi               10.1007/s00269-002-0264-4
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'Ca3 Cr2 O12 Si3'
_chemical_name_mineral           Uvarovite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.9973
_cell_length_b                   11.9973
_cell_length_c                   11.9973
_cell_formula_units_Z            8
_cell_volume                     1726.834
_database_code_amcsd             0008734
_exptl_crystal_density_diffrn    3.850
_cod_original_formula_sum        'Ca3 Cr2 Si3 O12'
_cod_database_code               9007149
Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 1 atm
Yamanaka, T.; Fukuda, T.; Tsuchiya, J.; Physics and Chemistry of Minerals 29 (2002) 633–641; doi:10.1007/s00269-002-0257-3

data_9007150
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 1 atm
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               641
_journal_paper_doi               10.1007/s00269-002-0257-3
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1812
_cell_length_b                   4.1812
_cell_length_c                   2.6662
_cell_formula_units_Z            2
_cell_volume                     46.612
_database_code_amcsd             0008735
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    4.281
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007150
Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 5.23 GPa
Yamanaka, T.; Fukuda, T.; Tsuchiya, J.; Physics and Chemistry of Minerals 29 (2002) 633–641; doi:10.1007/s00269-002-0257-3

data_9007151
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 5.23 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               641
_journal_paper_doi               10.1007/s00269-002-0257-3
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.152
_cell_length_b                   4.152
_cell_length_c                   2.6590
_cell_formula_units_Z            2
_cell_volume                     45.839
_database_code_amcsd             0008736
_diffrn_ambient_pressure         5.23e+06
_exptl_crystal_density_diffrn    4.353
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007151
Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 9.26 GPa
Yamanaka, T.; Fukuda, T.; Tsuchiya, J.; Physics and Chemistry of Minerals 29 (2002) 633–641; doi:10.1007/s00269-002-0257-3

data_9007152
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 9.26 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               641
_journal_paper_doi               10.1007/s00269-002-0257-3
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.134
_cell_length_b                   4.134
_cell_length_c                   2.6540
_cell_formula_units_Z            2
_cell_volume                     45.357
_database_code_amcsd             0008737
_diffrn_ambient_pressure         9.26e+06
_exptl_crystal_density_diffrn    4.399
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007152
Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 12.3 GPa
Yamanaka, T.; Fukuda, T.; Tsuchiya, J.; Physics and Chemistry of Minerals 29 (2002) 633–641; doi:10.1007/s00269-002-0257-3

data_9007153
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 12.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               641
_journal_paper_doi               10.1007/s00269-002-0257-3
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.118
_cell_length_b                   4.118
_cell_length_c                   2.649
_cell_formula_units_Z            2
_cell_volume                     44.922
_database_code_amcsd             0008738
_diffrn_ambient_pressure         1.23e+07
_exptl_crystal_density_diffrn    4.442
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007153
Bonding character of SiO2 stishovite under high pressures up to 30 GPa Sample: P = 29.1 GPa
Yamanaka, T.; Fukuda, T.; Tsuchiya, J.; Physics and Chemistry of Minerals 29 (2002) 633–641; doi:10.1007/s00269-002-0257-3

data_9007154
_publ_section_title
;
 Bonding character of SiO2 stishovite under high pressures up to 30 GPa
 Sample: P = 29.1 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              633
_journal_page_last               641
_journal_paper_doi               10.1007/s00269-002-0257-3
_journal_volume                  29
_journal_year                    2002
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.044
_cell_length_b                   4.044
_cell_length_c                   2.619
_cell_formula_units_Z            2
_cell_volume                     42.831
_database_code_amcsd             0008739
_diffrn_ambient_pressure         2.91e+07
_exptl_crystal_density_diffrn    4.659
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007154
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 25 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007155
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 25 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.83
_cell_angle_gamma                90
_cell_length_a                   9.638
_cell_length_b                   8.709
_cell_length_c                   5.258
_cell_formula_units_Z            4
_cell_volume                     415.172
_database_code_amcsd             0008740
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.435
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007155
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 75 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007156
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 75 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.95
_cell_angle_gamma                90
_cell_length_a                   9.651
_cell_length_b                   8.706
_cell_length_c                   5.270
_cell_formula_units_Z            4
_cell_volume                     416.222
_database_code_amcsd             0008741
_diffrn_ambient_temperature      348.15
_exptl_crystal_density_diffrn    3.427
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007156
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 95 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007157
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 95 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.09
_cell_angle_gamma                90
_cell_length_a                   9.672
_cell_length_b                   8.697
_cell_length_c                   5.281
_cell_formula_units_Z            4
_cell_volume                     417.195
_database_code_amcsd             0008742
_diffrn_ambient_temperature      368.15
_exptl_crystal_density_diffrn    3.419
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007157
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 125 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007158
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 125 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.23
_cell_angle_gamma                90
_cell_length_a                   9.694
_cell_length_b                   8.690
_cell_length_c                   5.293
_cell_formula_units_Z            4
_cell_volume                     418.381
_database_code_amcsd             0008743
_diffrn_ambient_temperature      398.15
_exptl_crystal_density_diffrn    3.409
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007158
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 150 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007159
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 150 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.26
_cell_angle_gamma                90
_cell_length_a                   9.701
_cell_length_b                   8.690
_cell_length_c                   5.295
_cell_formula_units_Z            4
_cell_volume                     418.760
_database_code_amcsd             0008744
_diffrn_ambient_temperature      423.15
_exptl_crystal_density_diffrn    3.406
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007159
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of site dimension on the P2_1/c - C2/c phase transition Sample: T = 200 C
Camara, F.; Iezzi, G.; Oberti, R.; Physics and Chemistry of Minerals 30 (2003) 20–30; doi:10.1007/s00269-002-0287-x

data_9007160
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 200 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              20
_journal_page_last               30
_journal_paper_doi               10.1007/s00269-002-0287-x
_journal_volume                  30
_journal_year                    2003
_chemical_formula_structural     (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
_chemical_formula_sum            'Fe0.91 Li0.85 Mg0.24 O6 Si2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.27
_cell_angle_gamma                90
_cell_length_a                   9.707
_cell_length_b                   8.693
_cell_length_c                   5.298
_cell_formula_units_Z            4
_cell_volume                     419.375
_database_code_amcsd             0008745
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    3.401
_cod_original_formula_sum        'Li.85 Mg.24 Fe.91 Si2 O6'
_cod_database_code               9007160
_amcsd_formula_title             (Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6
Compression mechanisms of coesite Sample: X1air, in air, P = 0.0001 GPa
Angel, R. J.; Shaw, C. S. J.; Gibbs, G. V.; Physics and Chemistry of Minerals 30 (2003) 167–176; doi:10.1007/s00269-003-0303-9

data_9007161
_publ_section_title
;
 Compression mechanisms of coesite
 Sample: X1air, in air, P = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              167
_journal_page_last               176
_journal_paper_doi               10.1007/s00269-003-0303-9
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.330
_cell_angle_gamma                90
_cell_length_a                   7.1366
_cell_length_b                   12.3723
_cell_length_c                   7.1749
_cell_formula_units_Z            16
_cell_volume                     546.808
_database_code_amcsd             0008746
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.919
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007161
Compression mechanisms of coesite Sample: X1P0, in cell, P = 0.0001 GPa
Angel, R. J.; Shaw, C. S. J.; Gibbs, G. V.; Physics and Chemistry of Minerals 30 (2003) 167–176; doi:10.1007/s00269-003-0303-9

data_9007162
_publ_section_title
;
 Compression mechanisms of coesite
 Sample: X1P0, in cell, P = 0.0001 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              167
_journal_page_last               176
_journal_paper_doi               10.1007/s00269-003-0303-9
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.330
_cell_angle_gamma                90
_cell_length_a                   7.1366
_cell_length_b                   12.3723
_cell_length_c                   7.1749
_cell_formula_units_Z            16
_cell_volume                     546.808
_database_code_amcsd             0008747
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.919
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007162
Compression mechanisms of coesite Sample: X1P8, P = 2.248 GPa
Angel, R. J.; Shaw, C. S. J.; Gibbs, G. V.; Physics and Chemistry of Minerals 30 (2003) 167–176; doi:10.1007/s00269-003-0303-9

data_9007163
_publ_section_title
;
 Compression mechanisms of coesite
 Sample: X1P8, P = 2.248 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              167
_journal_page_last               176
_journal_paper_doi               10.1007/s00269-003-0303-9
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.54
_cell_angle_gamma                90
_cell_length_a                   7.0666
_cell_length_b                   12.3049
_cell_length_c                   7.1462
_cell_formula_units_Z            16
_cell_volume                     535.187
_database_code_amcsd             0008748
_diffrn_ambient_pressure         2.248e+06
_exptl_crystal_density_diffrn    2.983
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007163
Compression mechanisms of coesite Sample: X4P4, P = 2.84 GPa
Angel, R. J.; Shaw, C. S. J.; Gibbs, G. V.; Physics and Chemistry of Minerals 30 (2003) 167–176; doi:10.1007/s00269-003-0303-9

data_9007164
_publ_section_title
;
 Compression mechanisms of coesite
 Sample: X4P4, P = 2.84 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              167
_journal_page_last               176
_journal_paper_doi               10.1007/s00269-003-0303-9
_journal_volume                  30
_journal_year                    2003
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Coesite
_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                 120.587
_cell_angle_gamma                90
_cell_length_a                   7.0500
_cell_length_b                   12.2907
_cell_length_c                   7.1386
_cell_formula_units_Z            16
_cell_volume                     532.488
_database_code_amcsd             0008749
_diffrn_ambient_pressure         2.84e+06
_exptl_crystal_density_diffrn    2.998
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007164