data_PCOD3102120
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102120 R =  0.0169
Probable space group: C 2
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          8.1272
_cell_length_b          6.8440
_cell_length_c         25.8438
_cell_angle_alpha     90.000
_cell_angle_beta     100.104
_cell_angle_gamma     90.000
_cell_volume          1415.20
_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      0.20389   0.82773   0.47225
Si2      0.78784   0.82159   0.52971
Si3      0.70597   0.31390   0.47051
Si4      0.30036   0.32577   0.53213
Si5      0.30884   0.69325   0.58309
Si6     -0.31490   0.67993  -0.58088
Si7      0.80909   1.18649   0.58105
Si8      0.20192   1.19535  -0.57820
Si9      0.52548  -0.01961   0.58480
Si10     -0.52259  -0.02733  -0.58041
Si11      1.02366   0.48312   0.58129
Si12     -0.02638   0.48140  -0.58062
O1      0.21480   0.82564   0.53519
O2      0.10712   1.01913   0.44614
O3      0.11147   0.63189   0.44844
O4      0.39286   0.84730   0.46113
O5      0.89576   1.00627   0.55562
O6      0.87460   0.62275   0.55390
O7      0.60117   0.85273   0.54171
O8      0.77820   0.81368   0.46694
O9      0.70915   0.31458   0.53317
O10      0.59861   0.49649   0.44300
O11      0.62769   0.10979   0.44742
O12      0.89454   0.34766   0.46039
O13      0.40048   0.51307   0.55947
O14      0.38016   0.12614   0.55801
O15      0.10907   0.35838   0.53987
O16      0.30288   0.32194   0.46985
O17      0.17066   0.61107   0.61541
O18      0.44493   0.82587   0.62034
O19     -0.17861   0.60107  -0.61445
O20     -0.45184   0.81421  -0.61718
O21      0.67977   1.10393   0.61657
O22      0.94673   1.32332   0.61618
O23      0.06664   1.33271  -0.61446
O24      0.33117   1.10631  -0.61273
#
#_symmetry_space_group_name_H-M  C 2
#_symmetry_Int_Tables_number    5
#
#   Coordination Sequence :
#
# PCOD3102120 SiO2            R =  0.0169    5
#   2
#   8  4
#    4  10  18  26  32  40  46  54  60  68
#    4  10  21  24  34  38  48  52  62  66
#
#_framework_density    8.48
#