LMucko/crystallography-open-database huggingface dataset:
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_4124034
_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           224
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            48
_cell_length_a                   12.17921
_cell_length_b                   12.17921
_cell_length_c                   12.17921
_cell_volume                     1806.581
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_491.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-P 4bc 2bc 3 (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124034
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_4124035
_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           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_formula_units_Z            96
_cell_length_a                   16.02218
_cell_length_b                   16.02218
_cell_length_c                   16.02218
_cell_volume                     4113.058
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_492.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124035
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_4124036
_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           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            36
_cell_length_a                   18.30828
_cell_length_b                   18.30828
_cell_length_c                   6.69983
_cell_volume                     1944.865
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_494.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124036
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_4124037
_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           195
_symmetry_space_group_name_Hall  'P 2 2 3'
_symmetry_space_group_name_H-M   'P 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   8.7638
_cell_length_b                   8.7638
_cell_length_c                   8.7638
_cell_volume                     673.097
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_497.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        673.0965
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124037
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_4124038
_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           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   10.73033
_cell_length_b                   10.73033
_cell_length_c                   10.73033
_cell_volume                     1235.490
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_498.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        1235.49
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124038
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_4124039
_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                   18.45532
_cell_length_b                   18.45532
_cell_length_c                   7.48346
_cell_volume                     2207.376
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_499.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124039
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_4124040
_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           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   13.5503
_cell_length_b                   13.5503
_cell_length_c                   8.87827
_cell_volume                     1411.747
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_500.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124040
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_4124041
_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           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                 96.8449
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   12.04299
_cell_length_b                   19.06932
_cell_length_c                   4.18221
_cell_volume                     953.606
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_501.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        953.6057
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124041
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_4124042
_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           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   10.86794
_cell_length_b                   10.86794
_cell_length_c                   4.7239
_cell_volume                     483.199
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_502.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        483.1987
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124042
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_4124043
_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           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.06854
_cell_length_b                   9.06854
_cell_length_c                   5.18794
_cell_volume                     369.488
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_503.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124043
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_4124044
_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           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   9.47596
_cell_length_b                   10.24498
_cell_length_c                   8.88817
_cell_volume                     862.873
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_504.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        862.8726
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124044
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_4124045
_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           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.89656
_cell_length_b                   13.89656
_cell_length_c                   8.8966
_cell_volume                     1718.061
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_505.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124045
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_4124046
_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           141
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   9.0566
_cell_length_b                   9.0566
_cell_length_c                   20.39384
_cell_volume                     1672.744
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_506.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-I 4bd 2 (x+1/2,y+1/4,z+1/8)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124046
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_4124047
_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           132
_symmetry_space_group_name_Hall  '-P 4c 2c'
_symmetry_space_group_name_H-M   'P 42/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.11427
_cell_length_b                   8.11427
_cell_length_c                   5.44596
_cell_volume                     358.570
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_508.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        358.5695
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124047
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_4124048
_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           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   4.8424
_cell_length_b                   15.11613
_cell_length_c                   20.60749
_cell_volume                     1508.434
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_509.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-F 2uv 2vw (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124048
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_4124049
_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           125
_symmetry_space_group_name_Hall  'P 4 2 -1ab'
_symmetry_space_group_name_H-M   'P 4/n b m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.96453
_cell_length_b                   11.96453
_cell_length_c                   4.25211
_cell_volume                     608.689
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_510.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        608.6895
_cod_original_sg_symbol_Hall     '-P 4a 2b (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124049
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Klinowski, J.; Friedrichs, O.D.; Bell, R.G.; Paz, F.A.A.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124050
_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           126
_symmetry_space_group_name_Hall  'P 4 2 -1n'
_symmetry_space_group_name_H-M   'P 4/n n c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.33781
_cell_length_b                   10.33781
_cell_length_c                   4.79775
_cell_volume                     512.737
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_511.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-P 4a 2bc (x-1/4,y-1/4,z-1/4)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124050