LMucko/crystallography-open-database huggingface dataset:
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_4124068
_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           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                 112.1066
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.69296
_cell_length_b                   6.0205
_cell_length_c                   11.46583
_cell_volume                     555.961
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_539.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        555.9608
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124068
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_4124069
_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           48
_symmetry_space_group_name_Hall  'P 2 2 -1n'
_symmetry_space_group_name_H-M   'P n n n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.33308
_cell_length_b                   4.47933
_cell_length_c                   8.06658
_cell_volume                     337.231
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_541.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-P 2ab 2bc (x-1/4,y-1/4,z-1/4)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124069
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_4124070
_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           50
_symmetry_space_group_name_Hall  'P 2 2 -1ab'
_symmetry_space_group_name_H-M   'P b a n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.10822
_cell_length_b                   9.53351
_cell_length_c                   3.66611
_cell_volume                     318.340
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_543.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        318.3405
_cod_original_sg_symbol_Hall     '-P 2ab 2b (x-1/4,y-1/4,z)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124070
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_4124071
_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           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                88.49825
_cell_angle_beta                 88.33954
_cell_angle_gamma                89.6815
_cell_formula_units_Z            8
_cell_length_a                   3.1995
_cell_length_b                   9.34791
_cell_length_c                   9.5113
_cell_volume                     284.250
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_544.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        284.2496
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124071
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_4124072
_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                   15.81941
_cell_length_b                   15.81941
_cell_length_c                   4.56155
_cell_volume                     988.607
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_547.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124072
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_4124073
_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            18
_cell_length_a                   14.14102
_cell_length_b                   14.14102
_cell_length_c                   4.95407
_cell_volume                     857.935
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_549.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        857.9347
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124073
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_4124074
_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           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.54807
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   8.72429
_cell_length_b                   7.65516
_cell_length_c                   8.74113
_cell_volume                     583.757
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_550.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124074
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_4124075
_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           179
_symmetry_space_group_name_Hall  'P 65 2 (0 0 1)'
_symmetry_space_group_name_H-M   'P 65 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.2213
_cell_length_b                   7.2213
_cell_length_c                   6.90717
_cell_volume                     311.933
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_551.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        311.9332
_cod_original_sg_symbol_Hall     'P 65 2 (x,y,z+1/12)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124075
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_4124076
_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           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.83453
_cell_angle_beta                 90.24908
_cell_angle_gamma                119.5764
_cell_formula_units_Z            18
_cell_length_a                   8.02064
_cell_length_b                   8.09196
_cell_length_c                   9.46642
_cell_volume                     534.236
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_553.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        534.2357
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124076
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_4124077
_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           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.68728
_cell_length_b                   8.0796
_cell_length_c                   8.33795
_cell_volume                     315.769
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_555.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        315.7694
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124077
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_4124078
_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            16
_cell_length_a                   4.71235
_cell_length_b                   9.35719
_cell_length_c                   14.53399
_cell_volume                     640.867
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_556.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        640.8669
_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               4124078
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_4124079
_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           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 150.9807
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.26786
_cell_length_b                   4.43541
_cell_length_c                   9.03988
_cell_volume                     160.814
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_557.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        160.8144
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124079
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_4124080
_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           54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.24919
_cell_length_b                   4.2786
_cell_length_c                   8.543
_cell_volume                     264.973
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_558.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124080
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_4124081
_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           95
_symmetry_space_group_name_Hall  'P 4cw 2c'
_symmetry_space_group_name_H-M   'P 43 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.43014
_cell_length_b                   4.43014
_cell_length_c                   16.10901
_cell_volume                     316.158
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_559.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        316.1577
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124081
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_4124082
_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           54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.31778
_cell_length_b                   4.43911
_cell_length_c                   9.66304
_cell_volume                     313.898
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_560.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        313.8983
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124082
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_4124083
_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           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.37598
_cell_length_b                   8.37598
_cell_length_c                   3.88479
_cell_volume                     236.031
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_561.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        236.0312
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124083
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_4124084
_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                   8.12338
_cell_length_b                   8.12338
_cell_length_c                   7.05098
_cell_volume                     402.952
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_563.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        402.9523
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124084