data_PCOD3007362
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3007362 R =  0.0134
Probable space group: P M M A
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   18
_cell_length_a         13.8293
_cell_length_b         14.3041
_cell_length_c          9.2202
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1823.90
_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      0.25554  -0.00118   0.01308
Si2      0.75257  -0.00060   0.98763
Si3      0.25569  -0.10991  -0.25759
Si4      0.25900   0.09752  -0.26501
Si5     -0.24753  -0.10210   0.26310
Si6     -0.24188   0.10511   0.26267
Si7      0.05772   0.09689  -0.35455
Si8      0.44614  -0.10585  -0.37874
Si9     -0.04885   0.10338   0.38507
Si10      0.55583  -0.10135   0.35583
Si11     -0.05359  -0.10473   0.38302
Si12      0.56194   0.10697   0.35762
Si13      0.05334  -0.11095  -0.35270
Si14      0.44860   0.10292  -0.38371
Si15     -0.05579  -0.00290  -0.13668
Si16      0.54168   0.00196  -0.15537
Si17      0.04603  -0.00031   0.16090
Si18      0.44297   0.00662   0.14510
O1      0.26685  -0.09396  -0.08510
O2      0.26833   0.08849  -0.09120
O3      0.14927  -0.00123   0.08314
O4      0.32676   0.00445   0.15132
O5      0.64711   0.00160   0.91541
O6      0.76094  -0.09186   1.08950
O7      0.76538   0.09054   1.08930
O8      0.82786  -0.00260   0.85434
O9      0.25705  -0.00699  -0.33054
O10      0.35079  -0.15990  -0.32320
O11      0.15486  -0.15792  -0.30545
O12      0.15804   0.14620  -0.30895
O13      0.35107   0.15314  -0.32886
O14     -0.24927   0.00166   0.33265
O15     -0.15122  -0.15261   0.32332
O16     -0.34580  -0.15446   0.30974
O17     -0.14548   0.15387   0.32581
O18     -0.33939   0.15861   0.31099
O19      0.07998  -0.00742  -0.41208
O20     -0.01139   0.08822  -0.21421
O21      0.00095   0.15466  -0.47814
O22      0.41851  -0.00153  -0.43287
O23      0.52275  -0.09152  -0.24836
O24      0.49883  -0.15445  -0.51572
O25     -0.07980  -0.00037   0.43724
O26      0.03024   0.09235   0.25763
O27      0.58675   0.00190   0.41089
O28      0.48638  -0.08714   0.21719
O29      0.02701  -0.09226   0.25782
O30     -0.00554  -0.16062   0.51772
O31      0.49023   0.09737   0.21975
O32      0.50176   0.15729   0.48537
O33     -0.01367  -0.09615  -0.21146
O34      0.52611   0.09396  -0.25390
O35     -0.03398  -0.00080   0.03421
O36      0.46414   0.00641  -0.02619
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Coordination Sequence :
#
# PCOD3007362 SiO2            R =  0.0134   51
#   4
#   2  4  8  4
#    4  10  14  16  24  30  32  38  40   0
#    4   8  12  19  26  25  36  39  38   0
#    4   8  14  20  24  28  33  37  43   0
#    4  10  13  18  23  29  31  37  43   0
#
#_framework_density    9.87
#
