LMucko/crystallography-open-database huggingface dataset:
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 12
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006295
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 12
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.9184
_cell_angle_gamma                90
_cell_length_a                   6.8513
_cell_length_b                   7.3761
_cell_length_c                   6.7085
_cell_formula_units_Z            8
_cell_volume                     331.712
_exptl_crystal_density_diffrn    2.406
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006295
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 13
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006296
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 13
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.2277
_cell_angle_gamma                90
_cell_length_a                   6.6211
_cell_length_b                   7.9963
_cell_length_c                   5.4115
_cell_formula_units_Z            8
_cell_volume                     281.955
_exptl_crystal_density_diffrn    2.831
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006296
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 14
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006297
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 14
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                92.6936
_cell_angle_beta                 90.7338
_cell_angle_gamma                90.0688
_cell_length_a                   5.8657
_cell_length_b                   5.1519
_cell_length_c                   5.3377
_cell_formula_units_Z            4
_cell_volume                     161.111
_database_code_amcsd             0007879
_exptl_crystal_density_diffrn    2.477
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006297
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 15
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006298
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 15
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                110.9196
_cell_angle_beta                 107.5582
_cell_angle_gamma                83.9309
_cell_length_a                   5.0980
_cell_length_b                   5.2954
_cell_length_c                   6.9599
_cell_formula_units_Z            4
_cell_volume                     167.327
_exptl_crystal_density_diffrn    2.385
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006298
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 16
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006299
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 16
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.9967
_cell_angle_gamma                90
_cell_length_a                   6.6395
_cell_length_b                   8.0488
_cell_length_c                   5.4184
_cell_formula_units_Z            8
_cell_volume                     285.163
_database_code_amcsd             0007881
_exptl_crystal_density_diffrn    2.799
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006299
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 17
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006300
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 17
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                88.5667
_cell_angle_beta                 114.2259
_cell_angle_gamma                94.0951
_cell_length_a                   5.5569
_cell_length_b                   5.2463
_cell_length_c                   5.9716
_cell_formula_units_Z            4
_cell_volume                     158.353
_exptl_crystal_density_diffrn    2.520
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006300
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 18
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006301
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 18
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           24
_symmetry_space_group_name_Hall  'I 2b 2c'
_symmetry_space_group_name_H-M   'I 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1154
_cell_length_b                   4.4201
_cell_length_c                   15.5724
_cell_formula_units_Z            8
_cell_volume                     283.269
_database_code_amcsd             0007883
_exptl_crystal_density_diffrn    2.818
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006301
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 19
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006302
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 19
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.8346
_cell_angle_gamma                90
_cell_length_a                   4.7082
_cell_length_b                   5.5282
_cell_length_c                   5.0064
_cell_formula_units_Z            4
_cell_volume                     124.044
_exptl_crystal_density_diffrn    3.217
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006302
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 20
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006303
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 20
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                77.9812
_cell_angle_beta                 82.2353
_cell_angle_gamma                54.5766
_cell_length_a                   5.4515
_cell_length_b                   5.3227
_cell_length_c                   5.8091
_cell_formula_units_Z            4
_cell_volume                     134.326
_database_code_amcsd             0007885
_exptl_crystal_density_diffrn    2.971
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006303
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 21
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006304
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 21
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.9053
_cell_angle_beta                 93.3589
_cell_angle_gamma                105.9589
_cell_length_a                   4.7209
_cell_length_b                   4.5622
_cell_length_c                   6.0394
_cell_formula_units_Z            4
_cell_volume                     124.778
_exptl_crystal_density_diffrn    3.198
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006304
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 22
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006305
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 22
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.6668
_cell_angle_gamma                90
_cell_length_a                   4.2166
_cell_length_b                   4.0206
_cell_length_c                   7.6423
_cell_formula_units_Z            4
_cell_volume                     112.579
_exptl_crystal_density_diffrn    3.545
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006305
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 23
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006306
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 23
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           3
_symmetry_space_group_name_Hall  'P 2y'
_symmetry_space_group_name_H-M   'P 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.3752
_cell_angle_gamma                90
_cell_length_a                   4.1605
_cell_length_b                   4.1294
_cell_length_c                   7.4211
_cell_formula_units_Z            4
_cell_volume                     124.993
_exptl_crystal_density_diffrn    3.193
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006306
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 24
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006307
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 24
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                111.5060
_cell_angle_beta                 93.9553
_cell_angle_gamma                90.7337
_cell_length_a                   4.6409
_cell_length_b                   5.2953
_cell_length_c                   6.7956
_cell_formula_units_Z            4
_cell_volume                     154.874
_database_code_amcsd             0007889
_exptl_crystal_density_diffrn    2.577
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006307
_amcsd_formula_title             SiO2
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.2, annealed at 725 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006308
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.2, annealed at 725 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.2 O4 Zn0.8'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1007
_cell_length_b                   8.1007
_cell_length_c                   8.1007
_cell_formula_units_Z            8
_cell_volume                     531.579
_database_code_amcsd             0007890
_exptl_crystal_density_diffrn    4.534
_exptl_crystal_thermal_history
'annealed at 725 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.2 Zn.8 O4'
_cod_database_code               9006308
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.4, annealed at 725 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006309
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.4, annealed at 725 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.4 O4 Zn0.6'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1140
_cell_length_b                   8.1140
_cell_length_c                   8.1140
_cell_formula_units_Z            8
_cell_volume                     534.201
_database_code_amcsd             0007891
_exptl_crystal_density_diffrn    4.465
_exptl_crystal_thermal_history
'annealed at 725 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.4 Zn.6 O4'
_cod_database_code               9006309
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 0.6, annealed at 725 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006310
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 0.6, annealed at 725 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe0.6 O4 Zn0.4'
_chemical_name_mineral           Hercynite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1288
_cell_length_b                   8.1288
_cell_length_c                   8.1288
_cell_formula_units_Z            8
_cell_volume                     537.130
_database_code_amcsd             0007892
_exptl_crystal_density_diffrn    4.393
_exptl_crystal_thermal_history
'annealed at 725 degrees C for 48 hours, then quenched'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Al2 Fe.6 Zn.4 O4'
_cod_database_code               9006310
Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample: 1.0, annealed at 725 degrees C for 48 hours, then quenched
Waerenborgh, J. C.; Figueiredo, M. O.; Cabral, J. M. P.; Pereira, L. C. J.; Physics and Chemistry of Minerals 21 (1994) 460–468; doi:

data_9006311
_publ_section_title
;Powder XRD structure refinements and 57Fe Mossbauer effect study of synthetic
 Zn1-xFexAl2O4 (o<x<=1) spinels annealed at different temperatures Sample:
 1.0, annealed at 725 degrees C for 48 hours, then quenched
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              460
_journal_page_last               468
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al2 Fe O4'
_chemical_name_mineral           Hercynite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1547
_cell_length_b                   8.1547
_cell_length_c                   8.1547
_cell_formula_units_Z            8
_cell_volume                     542.280
_database_code_amcsd             0007893
_exptl_crystal_density_diffrn    4.258
_exptl_crystal_thermal_history
'annealed at 725 degrees C for 48 hours, then quenched'
_cod_original_cell_volume        542.281
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al2 Fe) O4'
_cod_database_code               9006311