data_PCOD3006182
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3006182 R =  0.0137
Probable space group: P M
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    6
_cell_length_a         14.8936
_cell_length_b          7.8225
_cell_length_c          5.3728
_cell_angle_alpha     90.000
_cell_angle_beta      89.008
_cell_angle_gamma     90.000
_cell_volume           625.86
_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      0.92715   0.80940   0.50310
Si2      0.93156   0.19006   0.49916
Si3      0.78911   0.49772   0.50369
Si4      0.95775  -0.31348   0.00745
Si5      0.96124   0.31166  -0.00363
Si6      0.78720   0.49475   1.00891
O1      0.84709   0.67148   0.49507
O2      0.88776   1.00159   0.50310
O3      0.98849   0.78545   0.25447
O4      0.98396   0.78465   0.75289
O5      0.85364   0.33266   0.50276
O6      0.98991   0.21171   0.24542
O7      0.99158   0.21454   0.74380
O8      0.72987   0.49746   0.75799
O9      0.72703   0.48821   0.26080
O10      1.00446  -0.49952   0.00112
O11      0.84997  -0.33709   0.01784
O12      0.85336   0.33117   0.00104
#
#_symmetry_space_group_name_H-M  P M
#_symmetry_Int_Tables_number    6
#
#   Coordination Sequence :
#
# PCOD3006182 SiO2            R =  0.0137    6
#   4
#   2  1  2  1
#    4  10  14  18  26  30  32   0   0   0
#    4   8  12  20  20  28  36   0   0   0
#    4   8  13  21  24  27  37   0   0   0
#    4   6  10  16  26  22  32   0   0   0
#
#_framework_density    9.59
#
