data_PCOD3003951
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003951 R =  0.0147
Probable space group: P C
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z    8
_cell_length_a         27.4832
_cell_length_b          8.3490
_cell_length_c          5.1348
_cell_angle_alpha     90.000
_cell_angle_beta     105.706
_cell_angle_gamma     90.000
_cell_volume          1134.22
_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      0.43860   0.91697   0.50425
Si2      0.43937   0.05397   0.00772
Si3      0.44030   0.54995   0.68234
Si4      0.44193  -0.57733   1.18650
Si5      0.55506   0.43051   0.91414
Si6      0.55560  -0.44549   1.41677
Si7      0.55605  -0.08038   0.61004
Si8      0.55449   0.06475   1.11016
O1      0.43509   0.73326   0.58616
O2      0.41174   0.94785   0.18791
O3      0.49711   0.96678   0.55449
O4      0.41328   1.02819   0.68935
O5      0.49741  -0.00119   0.05888
O6      0.44061   0.23867   0.09616
O7      0.49849   0.49754   0.79595
O8      0.41333   0.52443   0.92198
O9      0.41388   0.44076   0.42324
O10      0.49818  -0.50712   1.30138
O11      0.55417   0.24829   1.01556
O12      0.58276   0.53594   1.17622
O13      0.58275   0.44520   0.67558
O14      0.55915  -0.26390   1.52298
O15      0.58125  -0.04347   0.92666
O16      0.58075   0.03472   0.42717
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Coordination Sequence :
#
# PCOD3003951 SiO2            R =  0.0147    7
#   2
#   4  4
#    4  10  18  23  29  35  41  47   0   0
#    4  10  17  24  29  35  41  47   0   0
#
#_framework_density    7.05
#
