data_PCOD 440009
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 440009 R =  0.0173
Probable space group: I M M 2                             
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   10
_cell_length_a         23.2501
_cell_length_b          2.7146
_cell_length_c         27.0813
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1709.22
_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      0.56128  -0.03181   0.47476
Si2      0.43114  -0.01321   0.47483
Si3      0.06674   0.50986   0.97625
Si4      0.93588   0.52018   0.97260
Si5      0.59975  -0.03509   0.58382
Si6     -0.59965   0.00910   0.58497
Si7      1.10149   0.49415   1.08626
Si8     -0.09924   0.54493   1.08296
Si9     -0.00038   0.50869   1.16483
Si10      0.50094  -0.00173   1.66526
O1      0.49622  -0.02268   0.45405
O2      0.56103  -0.03153   0.53432
O3      0.59205   0.46815   0.45626
O4      0.43639  -0.00185   0.53421
O5      0.39982   0.48703   0.45745
O6      0.00209   0.51432   0.95463
O7      0.06468   0.50139   1.03579
O8      0.09809   1.00931   0.95850
O9      0.93660   0.53396   1.03212
O10      0.90547   1.02086   0.95382
O11      0.63719   0.46471   0.58514
O12      0.55762  -0.02004   0.63108
O13     -0.63713   0.50867   0.58714
O14     -0.55533   0.00331   0.63066
O15      1.05762   0.49967   1.13232
O16      1.13893   0.99437   1.08836
O17     -0.05510   0.52693   1.12859
O18     -0.13665   1.04418   1.08544
O19     -0.00165   1.00951   1.19704
O20      0.50089   0.49799   1.69749
#
#_symmetry_space_group_name_H-M  I M M 2                             
#_symmetry_Int_Tables_number   44
#
#   Starting Wyckoff positions:
#
#    1     4c     0.5689   0.0000   0.4718
#    2     4c     0.5976   0.0000   0.5816
#    3     2b     0.0000   0.5000   1.1673
#
#   Coordination Sequence :
#
# PCOD 440009 SiO2            R =  0.0173   44
#   1
#  10
#    4   8  10  10   0   0   0   0   0   0
#
#_framework_density    5.85
#
