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_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_cif_authors_sg_Hall         '-F 2uv 2vw (x+1/8,y+1/8,z+1/8)'
_cod_chemical_formula_sum_orig   'O2 Si1'
_cod_database_code               4124048
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x,-y+1/2,-z+1/2
-x+1/2,y,-z+1/2
-x+1/4,-y+1/4,-z+1/4
x-1/4,y-1/4,-z+1/4
-x+1/4,y-1/4,z-1/4
x-1/4,-y+1/4,z-1/4
x,y+1/2,z+1/2
-x+1/2,-y+1,z+1/2
x,-y+1,-z+1
-x+1/2,y+1/2,-z+1
-x+1/4,-y+3/4,-z+3/4
x-1/4,y+1/4,-z+3/4
-x+1/4,y+1/4,z+1/4
x-1/4,-y+3/4,z+1/4
x+1/2,y,z+1/2
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1
-x+1,y,-z+1
-x+3/4,-y+1/4,-z+3/4
x+1/4,y-1/4,-z+3/4
-x+3/4,y-1/4,z+1/4
x+1/4,-y+1/4,z+1/4
x+1/2,y+1/2,z
-x+1,-y+1,z
x+1/2,-y+1,-z+1/2
-x+1,y+1/2,-z+1/2
-x+3/4,-y+3/4,-z+1/4
x+1/4,y+1/4,-z+1/4
-x+3/4,y+1/4,z-1/4
x+1/4,-y+3/4,z-1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0.5 0 0.79792 1 0.0
O1 O-2 0.75 0.38225 0.25 1 0.0
O3 O-2 0.5 0 0.34073 1 0.0
O4 O-2 0.375 0.625 0.375 1 0.0
Si1 Si+4 0.75929 0.06303 0.31874 1 0.0
