LMucko/crystallography-open-database huggingface dataset:
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124051
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           211
_symmetry_space_group_name_Hall  'I 4 2 3'
_symmetry_space_group_name_H-M   'I 4 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   9.68882
_cell_length_b                   9.68882
_cell_length_c                   9.68882
_cell_volume                     909.521
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_514.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        909.5208
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124051
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124052
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.51504
_cell_length_b                   5.51504
_cell_length_c                   11.0895
_cell_volume                     337.295
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_518.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        337.2945
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124052
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Bell, R.G.; Friedrichs, O.D.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124053
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           118
_symmetry_space_group_name_Hall  'P -4 -2n'
_symmetry_space_group_name_H-M   'P -4 n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.87194
_cell_length_b                   6.87194
_cell_length_c                   6.81655
_cell_volume                     321.902
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_519.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        321.9018
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124053
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124054
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   7.91341
_cell_length_b                   7.91341
_cell_length_c                   7.79422
_cell_volume                     422.698
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_521.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        422.6984
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124054
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124055
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            36
_cell_length_a                   7.42831
_cell_length_b                   7.42831
_cell_length_c                   29.99637
_cell_volume                     1433.440
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_522.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        1433.439
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124055
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Paz, F.A.A.; Bell, R.G.; Friedrichs, O.D.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124056
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   10.24406
_cell_length_b                   10.24406
_cell_length_c                   4.45861
_cell_volume                     405.205
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_523.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        405.2046
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124056
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Paz, F.A.A.; Bell, R.G.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124057
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.7459
_cell_length_b                   9.76467
_cell_length_c                   8.34061
_cell_volume                     793.738
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_524.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        793.7383
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124057
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124058
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            72
_cell_length_a                   13.75441
_cell_length_b                   13.75441
_cell_length_c                   19.0878
_cell_volume                     3127.306
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_526.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124058
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124059
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           177
_symmetry_space_group_name_Hall  'P 6 2'
_symmetry_space_group_name_H-M   'P 6 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   12.78345
_cell_length_b                   12.78345
_cell_length_c                   3.72082
_cell_volume                     526.581
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_527.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        526.5813
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124059
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124060
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           181
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   6.50293
_cell_length_b                   6.50293
_cell_length_c                   13.45857
_cell_volume                     492.887
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_531.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        492.8874
_cod_original_sg_symbol_Hall     'P 64 2 (x,y,z+1/6)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124060
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Klinowski, J.; Bell, R.G.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124061
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.89678
_cell_length_b                   10.14733
_cell_length_c                   8.89678
_cell_volume                     803.189
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_532.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        803.1885
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124061
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124062
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_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                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.75906
_cell_length_b                   8.41546
_cell_length_c                   10.23357
_cell_volume                     754.332
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_533.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124062
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124063
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.14022
_cell_length_b                   9.14022
_cell_length_c                   8.15139
_cell_volume                     680.997
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_534.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        680.9966
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124063
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Bell, R.G.; Friedrichs, O.D.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124064
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           68
_symmetry_space_group_name_Hall  'C 2 2 -1ac'
_symmetry_space_group_name_H-M   'C c c b :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.33168
_cell_length_b                   7.50371
_cell_length_c                   11.03365
_cell_volume                     689.807
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_535.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        689.8074
_cod_original_sg_symbol_Hall     '-C 2a 2ac (x+1/2,y-1/4,z+1/4)'
_cod_original_sg_symbol_H-M      'C c c a :1'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124064
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124065
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   8.77244
_cell_length_b                   8.78329
_cell_length_c                   16.18649
_cell_volume                     1247.183
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_536.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124065
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Klinowski, J.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124066
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           98
_symmetry_space_group_name_Hall  'I 4bw 2bw'
_symmetry_space_group_name_H-M   'I 41 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   5.63083
_cell_length_b                   5.63083
_cell_length_c                   22.11857
_cell_volume                     701.297
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_537.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        701.2968
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124066
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Klinowski, J.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124067
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.87553
_cell_length_b                   10.87553
_cell_length_c                   4.51093
_cell_volume                     533.540
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_538.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        533.54
_cod_original_sg_symbol_Hall     '-P 4a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124067