data_PCOD 670014
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD 670014 R =  0.0110
Probable space group: C M M A                             
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    8
_cell_length_a          5.3113
_cell_length_b          8.6290
_cell_length_c         28.4461
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1303.72
_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      0.00531   0.56153   0.44803
Si2     -0.00202   0.93346   0.44756
Si3      0.00116   0.06316   0.55374
Si4      0.00582   0.43478   0.55439
Si5      0.49685   0.06042   0.44819
Si6      0.50069   0.43203   0.44852
Si7      0.50142   0.56134   0.55461
Si8      0.50031   0.93319   0.55446
O1      0.00304   0.74770   0.44674
O2      0.01201   0.50240   0.50165
O3      0.25381   0.49656   0.42191
O4     -0.24597   0.49472   0.42364
O5     -0.00056   0.99697   0.50084
O6      0.24654   0.99970   0.42184
O7     -0.25339   0.99662   0.42219
O8      0.00316   0.24895   0.55330
O9      0.24974  -0.00166   0.57980
O10     -0.25025   0.00078   0.57950
O11      0.25466   0.49598   0.58113
O12     -0.24644   0.49759   0.57956
O13      0.49910   0.24630   0.44935
O14      0.49682  -0.00785   0.50082
O15      0.49706   0.49903   0.50135
O16      0.50014   0.74726   0.55584
#
#_symmetry_space_group_name_H-M  C M M A                             
#_symmetry_Int_Tables_number   67
#
#   Starting Wyckoff positions:
#
#    1     8m     0.0000   0.5859   0.4476
#
#   Coordination Sequence :
#
# PCOD 670014 SiO2            R =  0.0110   67
#   1
#   8
#    4  10  16  22  28  34  40  46   0   0
#
#_framework_density    6.14
#
