data_PCOD3103474
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3103474 R =  0.0132
Probable space group: P C C 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   12
_cell_length_a          4.9548
_cell_length_b         27.3141
_cell_length_c          8.7620
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1185.82
_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     -0.00202   0.49968   0.04728
Si2     -0.00961   0.49978   0.54662
Si3      0.49950   0.50058   0.24502
Si4      0.49173   0.50015   0.74298
Si5     -0.13590   0.60198  -0.03295
Si6      0.14422  -0.60244  -0.02390
Si7     -0.14730  -0.60394   0.47355
Si8      0.17341   0.60011   0.47044
Si9      0.67794   0.60179   0.31052
Si10     -0.64437  -0.60169   0.31629
Si11      0.64563  -0.60299   0.81172
Si12     -0.63543   0.60253   0.81336
O1      0.23841   0.52007   0.15349
O2     -0.10723   0.54379  -0.05951
O3     -0.26440   0.47934   0.13650
O4      0.12189   0.45585  -0.05300
O5      0.22666   0.48011   0.65674
O6      0.12744   0.54226   0.44498
O7     -0.27166   0.52061   0.63399
O8     -0.11960   0.45435   0.44616
O9      0.64417   0.54367   0.34007
O10      0.39073   0.45612   0.34951
O11      0.39214   0.54468   0.84976
O12      0.62334   0.45538   0.83725
O13     -0.23239   0.61343   0.13834
O14     -0.34086   0.62554  -0.15548
O15      0.15632   0.62595  -0.06563
O16      0.24542  -0.61258   0.14742
O17      0.35241  -0.62503  -0.14706
O18     -0.14872  -0.62482  -0.06242
O19     -0.35186  -0.62592   0.34753
O20      0.15007  -0.62523   0.43952
O21     -0.25347  -0.61582   0.64255
O22      0.38248   0.62331   0.34907
O23      0.26683   0.61195   0.64179
O24     -0.11470   0.62501   0.43230
#
#_symmetry_space_group_name_H-M  P C C 2
#_symmetry_Int_Tables_number   27
#
#   Coordination Sequence :
#
# PCOD3103474 SiO2            R =  0.0132   27
#   2
#   4  8
#    4  10  18  28  38  48  56   0   0   0
#    4  11  20  30  39  48  57   0   0   0
#
#_framework_density   10.12
#
