LMucko/crystallography-open-database huggingface dataset:
Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)
Foo, M.L.; Zandbergen, H.W.; Huang, Q.; He, T.; Lawes, G.; Cava, R.J.; Siegrist, T.; Ramirez, A.P.; Journal of Solid State Chemistry 179 (2006) 941–948; doi:

data_1528489
_publ_section_title
;
 Synthesis and characterization of the pseudo-hexagonal hollandites A Li2
 Ru6 O12 (A = Na, K)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              941
_journal_page_last               948
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Li Na0.54 O6 Ru3'
_chemical_name_systematic        'Li Na0.54 Ru3 O6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.3955
_cell_angle_beta                 89.869
_cell_angle_gamma                90.034
_cell_formula_units_Z            8
_cell_length_a                   9.3775
_cell_length_b                   16.2522
_cell_length_c                   5.56143
_cell_volume                     847.567
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_880.cif
_cod_data_source_block           Li1Na0.54O6Ru3
_cod_original_cell_volume        847.5671
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_original_formula_sum        'Li1 Na0.54 O6 Ru3'
_cod_database_code               1528489
Synthesis and characterization of the pseudo-hexagonal hollandites A Li2 Ru6 O12 (A = Na, K)
Foo, M.L.; He, T.; Zandbergen, H.W.; Ramirez, A.P.; Huang, Q.; Lawes, G.; Siegrist, T.; Cava, R.J.; Journal of Solid State Chemistry 179 (2006) 941–948; doi:

data_1528490
_publ_section_title
;
 Synthesis and characterization of the pseudo-hexagonal hollandites A Li2
 Ru6 O12 (A = Na, K)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              941
_journal_page_last               948
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Li Na0.5 O6 Ru3'
_chemical_name_systematic        'Na0.5 Li Ru3 O6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                90.436
_cell_angle_beta                 89.869
_cell_angle_gamma                90.025
_cell_formula_units_Z            8
_cell_length_a                   9.3665
_cell_length_b                   19.2324
_cell_length_c                   5.5501
_cell_volume                     999.765
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_881.cif
_cod_data_source_block           Li1Na0.5O6Ru3
_cod_original_cell_volume        999.7649
_cod_original_sg_symbol_Hall
;
-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)
;
_cod_original_sg_symbol_H-M      'P -1 (b+c,a+c,a+b)'
_cod_original_formula_sum        'Li1 Na0.5 O6 Ru3'
_cod_database_code               1528490
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
Foo, M.L.; Lee, W.-L.; Huang, Q.; Lynn, J.W.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528491
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba Mn2.04 O11 Ru3.96'
_chemical_name_systematic        'Ba ((Mn2.04 Ru3.96) O11)'
_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            2
_cell_length_a                   5.88779
_cell_length_b                   5.88779
_cell_length_c                   13.5538
_cell_volume                     406.908
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_931.cif
_cod_data_source_block           Ba1Mn2.04O11Ru3.96
_cod_original_cell_volume        406.9081
_cod_original_formula_sum        'Ba1 Mn2.04 O11 Ru3.96'
_cod_database_code               1528491
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
Foo, M.L.; Lee, W.-L.; Huang, Q.; Klimczuk, T.; Lynn, J.W.; Hagemann, I.S.; Ong, N.P.; Cava, R.J.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528492
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba Cu0.98 O11 Ru5'
_chemical_name_systematic        'Ba Cu0.98 Ru5 O11'
_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            2
_cell_length_a                   5.84453
_cell_length_b                   5.84453
_cell_length_c                   13.8099
_cell_volume                     408.527
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_932.cif
_cod_data_source_block           Ba1Cu0.98O11Ru5
_cod_original_cell_volume        408.5266
_cod_original_formula_sum        'Ba1 Cu0.98 O11 Ru5'
_cod_database_code               1528492
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
Foo, M.L.; Huang, Q.; Cava, R.J.; Lynn, J.W.; Hagemann, I.S.; Lee, W.-L.; Ong, N.P.; Klimczuk, T.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528493
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba O3 Ru'
_chemical_name_systematic        'Ba Ru O3'
_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            9
_cell_length_a                   5.7554
_cell_length_b                   5.7554
_cell_length_c                   21.621
_cell_volume                     620.237
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_933.cif
_cod_data_source_block           Ba1O3Ru1
_cod_original_cell_volume        620.2367
_cod_original_formula_sum        'Ba1 O3 Ru1'
_cod_database_code               1528493
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Hagemann, I.S.; Klimczuk, T.; Ong, N.P.; Cava, R.J.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528494
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba Li0.55 O11 Ru5'
_chemical_name_systematic        'Ba Li0.55 Ru5 O11'
_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            2
_cell_length_a                   5.8113
_cell_length_b                   5.8113
_cell_length_c                   13.7893
_cell_volume                     403.292
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_934.cif
_cod_data_source_block           Ba1Li0.55O11Ru5
_cod_original_cell_volume        403.2918
_cod_original_formula_sum        'Ba1 Li0.55 O11 Ru5'
_cod_database_code               1528494
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
Foo, M.L.; Klimczuk, T.; Huang, Q.; Lee, W.-L.; Lynn, J.W.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528495
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M = Li and Cu) and Ba M'2 Ru4 O11 (M' = Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Li0.8 O3 Ru'
_chemical_name_systematic        'Li0.80 O3 Ru'
_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                 100.023
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.9274
_cell_length_b                   8.786
_cell_length_c                   9.886
_cell_volume                     421.454
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_935.cif
_cod_data_source_block           Li0.8O3Ru1
_cod_original_cell_volume        421.4541
_cod_original_formula_sum        'Li0.8 O3 Ru1'
_cod_database_code               1528495
Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
Foo, M.L.; Huang, Q.; Lynn, J.W.; Lee, W.-L.; Klimczuk, T.; Cava, R.J.; Hagemann, I.S.; Ong, N.P.; Journal of Solid State Chemistry 179 (2006) 563–572; doi:

data_1528496
_publ_section_title
;
 Synthesis, structure and physical properties of Ru ferrites: Ba M Ru5 O11
 (M= Li and Cu) and Ba M'2 Ru4 O11 (M'= Mn, Fe and Co)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              563
_journal_page_last               572
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Ba Mn2 O11 Ru4'
_chemical_name_systematic        'Ba (Mn2 Ru4 O11)'
_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            2
_cell_length_a                   5.8808
_cell_length_b                   5.8808
_cell_length_c                   13.533
_cell_volume                     405.320
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Foo_JSSCBI_2006_936.cif
_cod_data_source_block           Ba1Mn2O11Ru4
_cod_original_cell_volume        405.3195
_cod_original_formula_sum        'Ba1 Mn2 O11 Ru4'
_cod_database_code               1528496
The role of cation-cation interactions in a neptunyl chloride hydrate and topological aspects of neptunyl structural units
Forbes, T.Z.; Burns, P.C.; Journal of Solid State Chemistry 180 (2007) 106–112; doi:

data_1528497
_publ_section_title
;
 The role of cation-cation interactions in a neptunyl chloride hydrate and
 topological aspects of neptunyl structural units
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              106
_journal_page_last               112
_journal_volume                  180
_journal_year                    2007
_chemical_formula_sum            'Cl7 H8 K4 Np3 O10'
_chemical_name_systematic        'K4 (Np O2)3 Cl7 (H2 O)4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                65.855
_cell_angle_beta                 69.604
_cell_angle_gamma                74.432
_cell_formula_units_Z            2
_cell_length_a                   8.8822
_cell_length_b                   12.0817
_cell_length_c                   12.4026
_cell_volume                     1125.981
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Forbes_JSSCBI_2007_1221.cif
_cod_data_source_block           H8Cl7K4Np3O10
_cod_original_formula_sum        'H8 Cl7 K4 Np3 O10'
_cod_database_code               1528497
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_4124027
_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           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            48
_cell_length_a                   18.47368
_cell_length_b                   18.47368
_cell_length_c                   18.47368
_cell_volume                     6304.639
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_482.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        6304.64
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124027
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_4124028
_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           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   15.29681
_cell_length_b                   15.29681
_cell_length_c                   15.29681
_cell_volume                     3579.337
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_483.cif
_cod_data_source_block           O2Si1
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124028
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_4124029
_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                   20.97788
_cell_length_b                   20.97788
_cell_length_c                   20.97788
_cell_volume                     9231.766
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_484.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        9231.767
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124029
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_4124030
_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           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            96
_cell_length_a                   20.34791
_cell_length_b                   20.34791
_cell_length_c                   20.34791
_cell_volume                     8424.797
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_486.cif
_cod_data_source_block           O2Si1
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124030
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_4124031
_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                   10.03404
_cell_length_b                   10.03404
_cell_length_c                   20.60379
_cell_volume                     2074.430
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_488.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        2074.43
_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               4124031
Chemical evaluation of hypothetical uninodal zeolites
Foster, M.D.; Klinowski, J.; Friedrichs, O.D.; Paz, F.A.A.; Bell, R.G.; Journal of the American Chemical Society 126 (2004) 9769–9775; doi:10.1021/ja037334j

data_4124032
_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            12
_cell_length_a                   10.00243
_cell_length_b                   10.00243
_cell_length_c                   10.18004
_cell_volume                     882.046
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Foster_JACSAT_2004_489.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        882.0458
_cod_original_formula_sum        'O2 Si1'
_cod_struct_determination_method theoretical
_cod_database_code               4124032
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_4124033
_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            48
_cell_length_a                   14.33772
_cell_length_b                   14.33772
_cell_length_c                   14.33772
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_cod_original_formula_sum        'O2 Si1'
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