data_PCOD3008346
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3008346 R =  0.0140
Probable space group: P 21 21 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   14
_cell_length_a          7.7148
_cell_length_b          9.3411
_cell_length_c         21.1185
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1521.90
_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      0.23709   0.36634   0.03874
Si2      0.76684   0.63671   0.04301
Si3      0.26621   0.86573   0.94437
Si4      0.72577   0.15007   0.94828
Si5     -0.15881  -0.06031  -0.14617
Si6      0.14630   0.08377  -0.14378
Si7      0.65156   0.42273   0.13250
Si8      0.34125   0.57334   0.13464
Si9      0.00025   0.49160   0.12629
Si10      0.49564   0.01603  -0.14011
Si11     -0.03725  -0.33519  -0.08799
Si12      0.02022   0.35896  -0.08510
Si13      0.52436   0.15146   0.07524
Si14      0.45797   0.84136   0.07629
O1      0.34104   0.50456   0.06420
O2      0.06352   0.36096   0.08167
O3      0.16842   0.38473  -0.03262
O4      0.35141   0.22333   0.04686
O5      0.66443   0.49200   0.06237
O6      0.64202   0.77071   0.05809
O7      0.93894   0.63060   0.08659
O8      0.83343   0.64408  -0.02896
O9      0.33042   0.86183   1.01664
O10      0.15608   1.00621   0.92453
O11      0.43781   0.87749   0.90072
O12      0.15060   0.72574   0.93060
O13      0.55274   0.14712   0.90531
O14      0.66865   0.12895   1.02093
O15      0.83709   0.01514   0.92270
O16      0.84170   0.29262   0.94142
O17     -0.00133   0.00777  -0.18622
O18     -0.12769  -0.22944  -0.13838
O19     -0.33911  -0.02872  -0.18231
O20      0.32942   0.06723  -0.18016
O21      0.09725   0.25036  -0.13740
O22      0.50465   0.50687   0.17208
O23      0.60212   0.25600   0.12888
O24      0.83693   0.43894   0.16735
O25      0.16223   0.53561   0.17016
O26      0.36222   0.74412   0.12880
O27     -0.01730  -0.49066  -0.12029
O28      0.48709  -0.00227   0.10682
#
#_symmetry_space_group_name_H-M  P 21 21 2
#_symmetry_Int_Tables_number   18
#
#   Coordination Sequence :
#
# PCOD3008346 SiO2            R =  0.0140   18
#   4
#   4  4  2  4
#    4   9  16  24  30  35  45  52  56   0
#    4   8  16  25  33  36  45  54  56   0
#    4   8  14  28  32  36  40  56  62   0
#    4  11  16  22  31  41  43  47  58   0
#
#_framework_density    9.20
#
