data_PCOD3102255
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102255 R =  0.0167
Probable space group: P M C 21
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a         27.1440
_cell_length_b         12.2314
_cell_length_c          5.3690
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1782.57
_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      0.85613   0.12358   0.87360
Si2      0.14561   0.87926   0.33241
Si3      0.85726   0.87128   0.36224
Si4      0.14573   0.12805   0.83760
Si5      0.85469   0.12930   0.37541
Si6     -0.85639  -0.13113   0.83998
Si7      0.85824  -0.13654   0.86353
Si8     -0.85695   0.13847   0.33388
Si9      0.05715   0.80387   0.10731
Si10     -0.05675  -0.80161   0.62630
Si11      0.05603  -0.80220   0.61352
Si12     -0.05400   0.80539   0.12416
Si13      0.05677   0.54599   0.22506
Si14     -0.05823  -0.54326   0.72410
Si15      0.05623  -0.54419   0.72559
Si16     -0.05650   0.54691   0.22606
O1      0.83087   0.17622   0.62892
O2      0.84827  -0.00679   0.86858
O3      0.83285   0.17860   1.11993
O4      0.91480   0.14639   0.86319
O5      0.08663   0.85998   0.33523
O6      0.16697   0.82495   0.58360
O7      0.15409   1.00918   0.32585
O8      0.16868   0.82083   0.08955
O9      0.91659   0.85974   0.35464
O10      0.84480   0.99965   0.36843
O11      0.83614   0.81332   0.60990
O12      0.83441   0.81530   0.11584
O13      0.15446  -0.00162   0.84793
O14      0.16848   0.18125   0.58796
O15      0.08629   0.14220   0.83882
O16      0.16593   0.18917   1.08295
O17      0.91286   0.15632   0.38587
O18     -0.91425  -0.16085   0.85608
O19      0.91657  -0.16205   0.87361
O20     -0.91505   0.16385   0.36143
O21      0.00164   0.84919   0.10570
O22      0.05804   0.67418   0.15684
O23     -0.00044  -0.84151   0.61160
O24     -0.06076  -0.67135   0.65785
O25      0.05862  -0.67228   0.65903
O26     -0.05566   0.67549   0.16513
O27      0.00006   0.50636   0.24018
O28      0.08072   0.52073   0.49367
O29      0.08089   0.48133  -0.00785
O30     -0.00092  -0.50843   0.73910
O31     -0.08198  -0.47814   0.49129
O32     -0.08195  -0.51416   0.99187
#
#_symmetry_space_group_name_H-M  P M C 21
#_symmetry_Int_Tables_number   26
#
#   Coordination Sequence :
#
# PCOD3102255 SiO2            R =  0.0167   26
#   3
#   8  4  4
#    4   8  15  25  30  40  50  55   0   0
#    4   9  18  24  33  39  45  55   0   0
#    4   9  18  28  33  37  43  51   0   0
#
#_framework_density    8.98
#
