data_PCOD3007286
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3007286 R =  0.0028
Probable space group: P 6/M M M
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    4
_cell_length_a          5.2637
_cell_length_b          5.2637
_cell_length_c         23.9918
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume           575.67
_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      0.33189   0.67250   0.06348
Si2      0.66976   0.33664   0.06332
Si3      0.67064   0.33446   0.93300
Si4      0.33699   0.66878   0.93295
O1      0.50097   0.50503   0.08344
O2      0.00071   0.50525   0.08691
O3      0.50035   1.00482   0.08626
O4      0.32403   0.67732  -0.00358
O5      0.67704   0.33231  -0.00377
O6      0.49928   0.49705   0.91092
O7      1.00386   0.50543   0.91066
O8      0.50814   0.00147   0.91059
#
#_symmetry_space_group_name_H-M  P 6/M M M
#_symmetry_Int_Tables_number  191
#
#   Starting Wyckoff positions:
#
#    1     4h     0.3333   0.6667   0.0691
#
#   Coordination Sequence :
#
# PCOD3007286 SiO2            R =  0.0028  191
#   1
#   4
#    4   9  15  21  27  33  39  45   0   0
#
#_framework_density    6.95
#
