data_PCOD3007243
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3007243 R =  0.0082
Probable space group: P C
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    6
_cell_length_a          5.3265
_cell_length_b         16.9745
_cell_length_c          7.3118
_cell_angle_alpha     90.000
_cell_angle_beta     105.522
_cell_angle_gamma     90.000
_cell_volume           636.98
_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      0.47585   0.40459   0.96588
Si2      0.48208   0.59368   0.46614
Si3      0.90405   0.40448   0.78562
Si4      0.90850  -0.40828   1.28532
Si5      0.68800  -0.44577   0.87443
Si6      0.69258   0.44234   1.37696
O1      0.68970   0.36454   0.87570
O2      0.55840   0.39077   1.19222
O3      0.18979   0.36863   0.87636
O4      0.46955   0.49795   0.92242
O5      0.56036   0.60840   0.69253
O6      0.47888   0.49998   0.42712
O7      0.69790   0.63306   0.37703
O8      0.19487   0.62799   0.37229
O9      0.90505   0.49806   0.82464
O10      0.82126   0.38893   0.55983
O11      0.82074  -0.39389   1.05924
O12      0.91155  -0.50164   1.32889
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Starting Wyckoff positions:
#
#    1     2a     0.4606   0.3971   0.9366
#    2     2a     0.9647   0.3908   0.7880
#    3     2a     0.6310  -0.4551   0.8720
#
#   Coordination Sequence :
#
# PCOD3007243 SiO2            R =  0.0082    7
#   2
#   4  2
#    4   9  15  20  25  31  36  41   0   0
#    4   8  16  18  28  28  38  40   0   0
#
#_framework_density    9.42
#
