data_PCOD1150331
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD1150331 R =  0.0228
Probable space group: P -4 M 2                            
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    4
_cell_length_a          5.4867
_cell_length_b          5.4867
_cell_length_c         26.3514
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           793.27
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1      0.26074   0.00104   0.46342
Si2      0.76796   0.00068   0.46467
Si3      0.01701   0.75950   0.53987
Si4      0.01888   0.25253   0.53875
O1      0.51627  -0.00073   0.43365
O2      0.24858   0.23717   0.50039
O3      0.01227  -0.00069   0.43046
O4      0.24839  -0.22890   0.50176
O5      0.78306   0.23570   0.50185
O6      0.78194  -0.23119   0.50274
O7      0.02008   0.50447   0.56977
O8      0.01939   1.00779   0.57290
#
#_symmetry_space_group_name_H-M  P -4 M 2                            
#_symmetry_Int_Tables_number  115
#
#   Starting Wyckoff positions:
#
#    1     4j     0.2675   0.0000   0.4516
#
#   Coordination Sequence :
#
# PCOD1150331 SiO2            R =  0.0228  115
#   1
#   4
#    4   6  12  16  20  24  28  32   0   0
#
#_framework_density    5.04
#
