data_PCOD3006169
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3006169 R =  0.0149
Probable space group: P M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    9
_cell_length_a          8.0739
_cell_length_b          7.6843
_cell_length_c         15.7253
_cell_angle_alpha     90.000
_cell_angle_beta     101.937
_cell_angle_gamma     90.000
_cell_volume           954.54
_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      0.98903   0.50015   0.72643
Si2      0.64622   0.49405   0.72493
Si3      1.31703   0.53324   0.72483
Si4      1.37764   0.31294   0.88245
Si5      1.38144  -0.30669   0.89986
Si6      1.70102  -0.20803   0.87091
Si7      1.69537   0.17832   0.84850
Si8      1.04153   0.17426   0.84501
Si9      1.04046  -0.19876   0.86986
O1      0.79677   0.51613   0.67244
O2      1.12665   0.54356   0.66833
O3      1.02198   0.30506   0.76354
O4      1.01726   0.63360   0.80699
O5      0.46048   0.53406   0.66717
O6      0.65117   0.29863   0.76268
O7      0.67763   0.63150   0.80401
O8      1.33595   0.35347   0.77961
O9      1.34643   0.68951   0.79477
O10      1.56119   0.22215   0.90844
O11      1.22709   0.19682   0.90583
O12      1.38327   0.49534   0.93380
O13      1.56615  -0.22241   0.93317
O14      1.22931  -0.20286   0.92918
O15      1.67262  -0.02403   0.82017
O16      1.89393  -0.20719   0.92551
O17      1.89000   0.21324   0.89522
O18      1.02050  -0.02449   0.81140
#
#_symmetry_space_group_name_H-M  P M
#_symmetry_Int_Tables_number    6
#
#   Coordination Sequence :
#
# PCOD3006169 SiO2            R =  0.0149    6
#   4
#   2  1  2  4
#    4   8  12  18  22  26  34  36  40   0
#    4   6  10  16  22  26  28  38  42   0
#    4   8  13  19  24  27  33  40  41   0
#    4   9  14  18  24  29  32  38  43   0
#
#_framework_density    9.43
#
