data_PCOD3004909
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004909 R =  0.0179
Probable space group: P 1
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    6
_cell_length_a         29.7183
_cell_length_b          4.9617
_cell_length_c          6.5598
_cell_angle_alpha     84.931
_cell_angle_beta      91.881
_cell_angle_gamma     95.474
_cell_volume           958.80
_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      0.90784   0.12858   0.51769
Si2      0.90439  -0.36895   0.28061
Si3      0.88787  -0.02846   0.90514
Si4      0.82194   0.33469   1.12098
Si5      0.80008   0.15163   0.50637
Si6      0.80450   0.66425   0.74286
O1      0.91794  -0.16626   0.45596
O2      0.92228   0.16040   0.75434
O3      0.85366   0.12448   0.51421
O4      0.92895   0.36077   0.35189
O5      0.91744  -0.21283   0.06293
O6      0.85092  -0.46250   0.26705
O7      0.85556   0.15537   1.01507
O8      0.85718  -0.22578   0.76121
O9      0.79168   0.51251   0.96276
O10      0.78690   0.13988   1.26654
O11      0.79417   0.44949   0.57370
O12      0.77640  -0.08175   0.66405
#
#_symmetry_space_group_name_H-M  P 1
#_symmetry_Int_Tables_number    1
#
#   Coordination Sequence :
#
# PCOD3004909 SiO2            R =  0.0179    1
#   3
#   2  2  2
#    4  10  17  23  28  33  42  45   0   0
#    4  10  18  23  27  35  40  46   0   0
#    4  10  17  21  30  34  39  46   0   0
#
#_framework_density    6.26
#
