data_PCOD3005151
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3005151 R =  0.0142
Probable space group: P -6 M 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    8
_cell_length_a          7.9574
_cell_length_b          7.9574
_cell_length_c         19.7300
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1081.92
_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      0.00094   0.00309   0.07853
Si2      0.00546   0.00507   0.91515
Si3      0.21478  -0.21619   0.07752
Si4      0.22185   0.43713   0.07655
Si5     -0.43353  -0.21312   0.07874
Si6      0.22163  -0.21307  -0.08481
Si7      0.22518   0.43822  -0.08593
Si8     -0.42893  -0.21216  -0.08387
O1      0.10451  -0.11118   0.10847
O2      0.11424   0.22186   0.10773
O3     -0.21691  -0.10130   0.10853
O4      0.00398   0.00454  -0.00322
O5      0.11184  -0.10653   0.88498
O6      0.11694   0.22175   0.88424
O7     -0.21294  -0.10180   0.88580
O8      0.21058  -0.20309  -0.00368
O9      0.43984  -0.11435   0.10056
O10      0.11526  -0.44302   0.09763
O11      0.21831   0.41968  -0.00462
O12      0.44494   0.56153   0.10119
O13     -0.41695  -0.20687  -0.00256
O14      0.44745  -0.11060  -0.10641
O15      0.12238  -0.43838  -0.10686
O16      0.45074   0.56366  -0.10782
#
#_symmetry_space_group_name_H-M  P -6 M 2
#_symmetry_Int_Tables_number  187
#
#   Starting Wyckoff positions:
#
#    1     2g     0.0000   0.0000   0.0786
#    2     6n     0.2117  -0.2117   0.0810
#
#   Coordination Sequence :
#
# PCOD3005151 SiO2            R =  0.0142  187
#   2
#   2  6
#    4   9  12  18  27  27  33  45  42   0
#    4   7  12  20  23  29  37  37  46   0
#
#_framework_density    7.39
#
