data_PCOD3003566
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003566 R =  0.0136
Probable space group: P M M 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    6
_cell_length_a          5.3631
_cell_length_b          7.8359
_cell_length_c         22.4583
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           943.80
_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      0.01802   0.32644   0.78886
Si2      0.00892   0.70076   0.78601
Si3      0.01613   0.51920   0.90188
Si4      0.50544  -0.18030   0.80602
Si5      0.51312   0.19753   0.81095
Si6      0.51099   0.51174   0.90052
O1      0.01226   0.51166   0.75772
O2      0.02287   0.35108   0.86032
O3      0.26842   0.22568   0.77032
O4     -0.23396   0.22372   0.77313
O5      0.01389   0.68144   0.85767
O6      0.25729   0.80125   0.76604
O7     -0.24415   0.79712   0.76692
O8      0.26496   0.52174   0.94193
O9     -0.23795   0.51900   0.94011
O10      0.50809   0.00554   0.83677
O11      0.50491  -0.32795   0.85588
O12      0.50646   0.33464   0.86429
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Coordination Sequence :
#
# PCOD3003566 SiO2            R =  0.0136   25
#   4
#   2  1  2  1
#    4   8  13  21  24  27  37   0   0   0
#    4   6  10  16  26  22  32   0   0   0
#    4  10  14  18  26  30  32   0   0   0
#    4   8  12  20  20  28  36   0   0   0
#
#_framework_density    6.36
#
