data_PCOD3006321
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3006321 R =  0.0147
Probable space group: C M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a          9.4113
_cell_length_b         12.3817
_cell_length_c         15.4828
_cell_angle_alpha     90.000
_cell_angle_beta     108.151
_cell_angle_gamma     90.000
_cell_volume          1714.40
_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      0.98880   0.73070   0.94416
Si2      0.98123   0.28165   0.94656
Si3      0.47917   0.23544   0.94864
Si4      0.49077   0.77681   0.94796
Si5      0.73978   0.72763   0.79676
Si6      0.72970  -0.71635   0.80173
Si7      1.23048   1.22744   0.79931
Si8      1.24588  -0.22331   0.79980
Si9      1.00071  -0.37195   0.77820
Si10      0.98921   0.37896   0.77670
Si11      1.49294   0.12754   0.78623
Si12      1.50310   0.87892   0.78123
Si13      1.23546  -0.11925   0.96714
Si14      1.22372   0.12983   0.96836
Si15      1.72625   0.38343   0.96935
Si16      1.73136   0.63020   0.96497
O1      0.86327   0.80073   0.86995
O2      0.90298   0.66949   1.00539
O3      1.04923   0.64216   0.88744
O4      1.12317   0.80655   1.00195
O5      1.04140   0.36580   0.88637
O6      1.11109   0.20213   1.00430
O7      0.89719   0.34262   1.00876
O8      0.85314   0.21052   0.87468
O9      0.54097   0.14367   0.89494
O10      0.39134   0.17719   1.00988
O11      0.61426   0.31126   1.00567
O12      0.35397   0.30180   0.87095
O13      0.55226   0.86338   0.89006
O14      0.62795   0.70428   1.00684
O15      0.36840   0.70435   0.87412
O16      0.40576   0.83895   1.00906
O17      0.60806   0.80617   0.73978
O18      0.67943   0.64219   0.85572
O19      0.82924   0.66816   0.73685
O20      0.81604  -0.65797   0.73932
O21      0.59366  -0.79274   0.74653
O22      0.67356  -0.62721   0.85989
O23      1.09402   1.30032   0.73952
O24      1.31983   1.16267   0.74210
O25      1.17254   1.14135   0.85901
O26      1.11002  -0.29730   0.74124
O27      1.18997  -0.13366   0.85797
O28      1.33264  -0.16236   0.73897
O29      1.01020  -0.49700   0.75225
O30      1.51536   0.00485   0.75927
O31      1.22030   0.00443   0.99443
O32      1.71664   0.50790   0.99589
#
#_symmetry_space_group_name_H-M  C M
#_symmetry_Int_Tables_number    8
#
#   Coordination Sequence :
#
# PCOD3006321 SiO2            R =  0.0147    8
#   2
#   8  8
#    4   7  12  19  19  28  31  31  44   0
#    4   8  12  18  22  24  32  36  36   0
#
#_framework_density    9.33
#
