data_PCOD3009735
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3009735 R =  0.0086
Probable space group: P C C 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   10
_cell_length_a         25.6492
_cell_length_b          5.1879
_cell_length_c          9.1511
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1217.70
_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      0.00324   0.48761   0.51681
Si2      0.00328   0.48393   0.99911
Si3      0.10133   0.25146   0.42308
Si4     -0.09422  -0.27001   0.42530
Si5      0.10242  -0.28268   0.91891
Si6     -0.09711   0.25005   0.92296
Si7     -0.09684   0.25624   0.60067
Si8      0.10264  -0.27512   0.59910
Si9     -0.09370  -0.27608   1.09774
Si10      0.10094   0.24384   1.09401
O1      0.03923   0.30433   0.41654
O2     -0.03510   0.31271   0.61508
O3     -0.03238   0.67481   0.41756
O4      0.04106   0.66520   0.61509
O5     -0.03560   0.30700   0.90387
O6      0.03910   0.29967   1.09952
O7      0.04100   0.65880   0.89907
O8     -0.03179   0.66953   1.10096
O9      0.11202  -0.00976   0.51243
O10      0.12803   0.49141   0.50660
O11      0.12310   0.22899   0.25863
O12     -0.10586  -0.00656   0.51162
O13     -0.12169  -0.50603   0.51066
O14     -0.11653  -0.25293   0.26129
O15      0.12850  -0.26216   0.75928
O16      0.11183  -0.02127   1.00899
O17      0.12786  -0.52053   1.00722
O18     -0.12213   0.23751   0.76149
O19     -0.10589  -0.01660   1.00828
O20     -0.12153   0.48598   1.01492
#
#_symmetry_space_group_name_H-M  P C C 2
#_symmetry_Int_Tables_number   27
#
#   Coordination Sequence :
#
# PCOD3009735 SiO2            R =  0.0086   27
#   2
#   2  8
#    4   8  20  24  36  36  52  52   0   0
#    4  10  19  27  34  41  49  56   0   0
#
#_framework_density    8.21
#
