data_PCOD3010514
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3010514 R =  0.0145
Probable space group: P C
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    8
_cell_length_a         10.0708
_cell_length_b         20.8197
_cell_length_c          5.2165
_cell_angle_alpha     90.000
_cell_angle_beta     105.369
_cell_angle_gamma     90.000
_cell_volume          1054.64
_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      0.03541   0.57396   0.10635
Si2      0.03844   0.42717   0.60129
Si3     -0.08212   0.42964   0.04493
Si4     -0.07480  -0.42779   0.54394
Si5      0.34043   0.53946   0.30259
Si6      0.34135  -0.54241   0.80339
Si7     -0.38548  -0.45905   0.33550
Si8     -0.38830   0.46142   0.83352
O1     -0.02349   0.50177   0.08291
O2      0.20067   0.57903   0.18593
O3     -0.02009   0.61194   0.32676
O4     -0.02287   0.60934  -0.17581
O5     -0.02580   0.39130   0.32139
O6     -0.01105   0.50097   0.57126
O7      0.20240   0.41734   0.68321
O8     -0.02316   0.39380   0.82362
O9     -0.24678   0.42329  -0.04272
O10     -0.24054  -0.42385   0.45632
O11      0.34271   0.51527   0.59747
O12      0.47730   0.58234   0.32442
O13      0.34257   0.48192   0.09709
O14      0.47942  -0.58372   0.82271
O15     -0.39187  -0.51772   0.53465
O16     -0.39349  -0.48073   0.03533
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Coordination Sequence :
#
# PCOD3010514 SiO2            R =  0.0145    7
#   2
#   4  4
#    4  10  14  20  26  30  34  40   0   0
#    4  10  16  20  24  30  36  40   0   0
#
#_framework_density    7.59
#
