LMucko/crystallography-open-database huggingface dataset:
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: alm10
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006278
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: alm10
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Al0.2 Fe4.8 O12 Si3'
_chemical_name_mineral           Andradite
_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                   11.7076
_cell_length_b                   11.7076
_cell_length_c                   11.7076
_cell_formula_units_Z            8
_cell_volume                     1604.736
_database_code_amcsd             0007860
_exptl_crystal_density_diffrn    4.551
_cod_original_formula_sum        'Fe4.8 Al.2 Si3 O12'
_cod_database_code               9006278
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and11
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006279
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: and11
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Ca0.33 Fe4.67 O12 Si3'
_chemical_name_mineral           Almandine
_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                   11.7663
_cell_length_b                   11.7663
_cell_length_c                   11.7663
_cell_formula_units_Z            8
_cell_volume                     1628.995
_database_code_amcsd             0007861
_exptl_crystal_density_diffrn    4.487
_cod_original_formula_sum        'Fe4.67 Ca.33 Si3 O12'
_cod_database_code               9006279
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and21
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006280
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: and21
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Ca0.63 Fe4.37 O12 Si3'
_chemical_name_mineral           Almandine
_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                   11.8002
_cell_length_b                   11.8002
_cell_length_c                   11.8002
_cell_formula_units_Z            8
_cell_volume                     1643.116
_database_code_amcsd             0007862
_exptl_crystal_density_diffrn    4.411
_cod_original_formula_sum        'Fe4.37 Ca.63 Si3 O12'
_cod_database_code               9006280
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and36,
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006281
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: and36,
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Ca1.92 Fe3.08 O12 Si3'
_chemical_name_mineral           Almandine
_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                   11.8568
_cell_length_b                   11.8568
_cell_length_c                   11.8568
_cell_formula_units_Z            8
_cell_volume                     1666.873
_database_code_amcsd             0007863
_exptl_crystal_density_diffrn    4.186
_cod_original_formula_sum        'Fe3.08 Ca1.92 Si3 O12'
_cod_database_code               9006281
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and52
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006282
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: and52
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Ca1.56 Fe3.44 O12 Si3'
_chemical_name_mineral           Andradite
_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                   11.9150
_cell_length_b                   11.9150
_cell_length_c                   11.9150
_cell_formula_units_Z            8
_cell_volume                     1691.539
_database_code_amcsd             0007864
_exptl_crystal_density_diffrn    4.169
_cod_original_formula_sum        'Fe3.44 Ca1.56 Si3 O12'
_cod_database_code               9006282
A crystallographic and Mossbauer spectroscopy study of Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions Sample: and64
Woodland, A. B.; Ross, C. R.; Physics and Chemistry of Minerals 21 (1994) 117–132; doi:10.1007/BF00203142

data_9006283
_publ_section_title
;A crystallographic and Mossbauer spectroscopy study of
 Fe3Al2Si3O12-Fe3Fe2Si3O12, (Almandine-"Skiagite") and
 Ca3Fe2Si3O12-Fe3Fe2Si3O12 (Andradite-"Skiagite") garnet solid solutions
 Sample: and64
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              117
_journal_page_last               132
_journal_paper_doi               10.1007/BF00203142
_journal_volume                  21
_journal_year                    1994
_chemical_formula_sum            'Ca1.08 Fe3.92 O12 Si3'
_chemical_name_mineral           Andradite
_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                   11.9503
_cell_length_b                   11.9503
_cell_length_c                   11.9503
_cell_formula_units_Z            8
_cell_volume                     1706.618
_database_code_amcsd             0007865
_exptl_crystal_density_diffrn    4.191
_cod_original_cell_volume        1706.619
_cod_original_formula_sum        'Fe3.92 Ca1.08 Si3 O12'
_cod_database_code               9006283
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 1
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006284
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 1
;
_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           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.6557
_cell_length_b                   8.6557
_cell_length_c                   4.7702
_cell_formula_units_Z            8
_cell_volume                     357.389
_database_code_amcsd             0007866
_exptl_crystal_density_diffrn    2.233
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006284
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 2
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006285
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 2
;
_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           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7481
_cell_length_b                   4.7481
_cell_length_c                   7.4880
_cell_formula_units_Z            4
_cell_volume                     168.813
_database_code_amcsd             0007867
_exptl_crystal_density_diffrn    2.364
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006285
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 3
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006286
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 3
;
_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           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0482
_cell_length_b                   6.6568
_cell_length_c                   4.9371
_cell_formula_units_Z            4
_cell_volume                     165.911
_database_code_amcsd             0007868
_exptl_crystal_density_diffrn    2.405
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006286
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 4
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006287
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 4
;
_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           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9329
_cell_length_b                   4.9329
_cell_length_c                   6.4645
_cell_formula_units_Z            4
_cell_volume                     157.304
_database_code_amcsd             0007869
_exptl_crystal_density_diffrn    2.537
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006287
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 5
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006288
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 5
;
_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           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9329
_cell_length_b                   4.9329
_cell_length_c                   6.4645
_cell_formula_units_Z            4
_cell_volume                     157.304
_database_code_amcsd             0007870
_exptl_crystal_density_diffrn    2.537
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006288
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 6
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006289
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 6
;
_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           46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2170
_cell_length_b                   7.9579
_cell_length_c                   4.9565
_cell_formula_units_Z            8
_cell_volume                     402.993
_database_code_amcsd             0007871
_exptl_crystal_density_diffrn    1.981
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006289
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 7
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006290
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 7
;
_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           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4953
_cell_length_b                   8.6203
_cell_length_c                   4.7305
_cell_formula_units_Z            8
_cell_volume                     305.646
_database_code_amcsd             0007872
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006290
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 8
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006291
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 8
;
_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           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                 115.4133
_cell_angle_gamma                90
_cell_length_a                   8.8664
_cell_length_b                   4.7482
_cell_length_c                   8.7918
_cell_formula_units_Z            8
_cell_volume                     334.315
_exptl_crystal_density_diffrn    2.388
_cod_original_cell_volume        334.314
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006291
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 9
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006292
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 9
;
_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           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                 112.2654
_cell_angle_gamma                90
_cell_length_a                   11.1032
_cell_length_b                   7.8989
_cell_length_c                   4.9771
_cell_formula_units_Z            8
_cell_volume                     403.960
_exptl_crystal_density_diffrn    1.976
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006292
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 10
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006293
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 10
;
_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                113.811
_cell_angle_beta                 77.951
_cell_angle_gamma                76.701
_cell_length_a                   4.8452
_cell_length_b                   6.9852
_cell_length_c                   7.0237
_cell_formula_units_Z            4
_cell_volume                     199.134
_database_code_amcsd             0007875
_exptl_crystal_density_diffrn    2.004
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006293
_amcsd_formula_title             SiO2
Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 11
Boisen, M. B.; Gibbs, G. V.; Bukowinski, M. S. T.; Physics and Chemistry of Minerals 21 (1994) 269–284; doi:

data_9006294
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 11
;
_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                 114.9303
_cell_angle_gamma                90
_cell_length_a                   6.9979
_cell_length_b                   8.2122
_cell_length_c                   6.5106
_cell_formula_units_Z            8
_cell_volume                     339.289
_exptl_crystal_density_diffrn    2.353
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006294