data_PCOD3004060
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3004060 R =  0.0157
Probable space group: P M M A
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   10
_cell_length_a          8.1602
_cell_length_b          6.9437
_cell_length_c         28.8133
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1632.61
_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      0.26100   0.72809   0.01352
Si2      0.24872   0.26690   0.01453
Si3      0.74817   0.72646   0.98830
Si4      0.75449   0.26479   0.99091
Si5      0.08804  -0.00503   0.07401
Si6      0.41843  -0.00038   0.07448
Si7     -0.08512  -0.00102  -0.07111
Si8      0.58474   0.00056  -0.07053
Si9      0.24950  -0.00367  -0.07074
Si10     -0.24924  -0.00574   0.07443
O1      0.25534   0.49754   0.01435
O2      0.10011   0.81248   0.03930
O3      0.41687   0.81141   0.04145
O4      0.25997   0.80524  -0.03911
O5      0.09153   0.18901   0.04291
O6      0.40956   0.18573   0.04076
O7      0.24331   0.18347  -0.03753
O8      0.75057   0.49557   0.98918
O9      0.59059   0.80560   0.96017
O10      0.90703   0.80911   0.96145
O11      0.74369   0.81047   1.04029
O12      0.59403   0.18004   0.96501
O13      0.91164   0.18385   0.96293
O14      0.75818   0.18788   1.04353
O15      0.25278  -0.00432   0.10523
O16     -0.07976  -0.01544   0.10323
O17      0.58453   0.00103   0.10451
O18      0.08229  -0.00715  -0.10041
O19     -0.25103   0.00406  -0.10174
O20      0.41767   0.00923  -0.10017
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Coordination Sequence :
#
# PCOD3004060 SiO2            R =  0.0157   51
#   3
#   4  4  2
#    4   8  14  22  26  30  38  42  46  54
#    4   7  17  22  24  32  38  40  48  54
#    4  10  14  22  26  30  38  42  46  54
#
#_framework_density    6.13
#
