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_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_chemical_formula_sum_orig   'O2 Si1'
_cod_database_code               4124061
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
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 0.25 0.11537 0.25 1 0.0
O1 O-2 0.30383 0 0.5 1 0.0
Si1 Si+4 0.32629 0.86645 0.59041 1 0.0
O4 O-2 0.5 0.16872 0.38565 1 0.0
O3 O-2 0.25 0.75 0.5 1 0.0
