data_PCOD3003217
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003217 R =  0.0070
Probable space group: P 4/N
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         10.1620
_cell_length_b         10.1620
_cell_length_c         19.2130
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1984.07
_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      0.90573   0.10556   0.08335
Si2      0.61209   0.40045   0.08377
Si3      0.41006   0.89791   0.08243
Si4      0.10900   0.60774   0.08290
Si5      0.11323   0.90455   0.91646
Si6      0.40466   0.60459   0.91449
Si7      0.61593   0.10363   0.91505
Si8      0.90540   0.40661   0.91686
Si9      0.61562   0.10130   0.08132
Si10     -0.09759   0.40548   0.08303
Si11      0.40436   0.60161   0.08099
Si12      0.11487  -0.09789   0.08323
Si13     -0.58950  -0.10094  -0.08405
Si14      1.10780   0.61268  -0.08396
Si15      0.61466  -0.59542  -0.08257
Si16     -0.09577   1.10758  -0.08283
O1      0.76057   0.07155   0.11189
O2      0.94129   0.25613   0.10221
O3      1.01321   0.00680   0.11627
O4      0.90457   0.08884   0.00013
O5      0.57603   0.24992   0.10149
O6      0.50438   0.49890   0.11685
O7      0.75688   0.43559   0.11241
O8      0.61069   0.42085   0.00062
O9      0.44127   0.74877   0.10517
O10      0.51422   0.99864   0.11629
O11      0.26319   0.93597   0.10679
O12      0.41976   0.91059  -0.00082
O13      0.00634   0.50586   0.11756
O14      0.25645   0.56835   0.10563
O15      0.09814   0.60135  -0.00054
O16      0.07793   0.75560   0.10851
O17      0.01380   1.01148   0.88391
O18      0.10459   0.91047   0.99991
O19      0.06949   0.75916   0.89170
O20      0.26219   0.93242   0.89178
O21      0.41472   0.59229   0.99786
O22      0.50637   0.49964   0.88191
O23      0.25505   0.57816   0.89108
O24      0.44736   0.75157   0.89212
O25      0.61571   0.08411   0.99824
O26      0.58042   0.25428   0.89724
O27      0.51082   0.00323   0.88153
O28      0.76146   0.07138   0.88620
O29      1.00881   0.50681   0.88182
O30      0.75944   0.44001   0.88896
O31      0.90629   0.42544   0.99995
O32      0.94204   0.25707   0.89788
#
#_symmetry_space_group_name_H-M  P 4/N
#_symmetry_Int_Tables_number   85
#
#   Coordination Sequence :
#
# PCOD3003217 SiO2            R =  0.0070   85
#   1
#  16
#    4   8  13  19  24  29  35  40  45  51
#
#_framework_density    8.06
#
