data_PCOD1000001
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD1000001 R =  0.0189
Probable space group: P 4 B M                             
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    4
_cell_length_a          5.3290
_cell_length_b          5.3290
_cell_length_c         22.5305
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           639.82
_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      0.26224   0.75452   0.55923
Si2      0.73303   0.25233   0.63726
Si3      0.23341   0.25493   0.55813
Si4      0.76200   0.75252   0.63855
O1      0.24442   0.50627   0.51824
O2      0.52528   0.74766   0.59419
O3      0.02479   0.75720   0.60334
O4      0.25410   1.00374   0.51851
O5      0.46783   0.25905   0.60318
O6      0.75274   0.50052   0.67821
O7      0.96911   0.24970   0.59285
O8      0.74268   0.00380   0.67821
#
#_symmetry_space_group_name_H-M  P 4 B M                             
#_symmetry_Int_Tables_number  100
#
#   Starting Wyckoff positions:
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#    1     4c     0.2904   0.7904   0.5937
#
#   Coordination Sequence :
#
# PCOD1000001 SiO2            R =  0.0189  100
#   1
#   4
#    4   8  12  16  20  24  28  32   0   0
#
#_framework_density    6.25
#
