data_PCOD3003565
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3003565 R =  0.0137
Probable space group: P M M 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   15
_cell_length_a         11.3994
_cell_length_b         19.4727
_cell_length_c          9.3908
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2084.54
_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      0.25467   0.49938   0.56426
Si2      0.74438   0.49630   0.55768
Si3     -0.00231   0.49626   0.69329
Si4     -0.00078   0.42120   0.96764
Si5     -0.00254  -0.42616   0.96494
Si6      0.36219   0.50058   0.87430
Si7     -0.36071   0.49512   0.86752
Si8     -0.23448  -0.42556   1.08063
Si9      0.22861   0.42360   1.08415
Si10     -0.23013   0.42130   1.08137
Si11      0.22889  -0.42328   1.08473
Si12      0.37454   0.42371   0.33450
Si13     -0.37809  -0.42493   0.33335
Si14      0.37097  -0.42309   0.33516
Si15     -0.37682   0.42181   0.32974
O1      0.11679   0.49670   0.60034
O2      0.33067   0.50275   0.70823
O3      0.29566   0.43230   0.47598
O4      0.29005   0.56718   0.47434
O5      0.88221   0.49592   0.59449
O6      0.66664   0.49555   0.70044
O7      0.70683   0.42906   0.46782
O8      0.70554   0.56398   0.46992
O9     -0.00305   0.42982   0.79706
O10     -0.00483   0.56346   0.79492
O11      0.11375   0.38307   1.02970
O12     -0.11283   0.38150   1.03279
O13     -0.00138   0.49777   1.03413
O14     -0.11677  -0.38747   1.02754
O15      0.11284  -0.38665   1.02256
O16      0.30973   0.43201   0.94503
O17      0.50093   0.49459   0.89508
O18      0.31884   0.56921   0.95336
O19     -0.30884   0.42659   0.93940
O20     -0.31391   0.56472   0.94036
O21     -0.19816  -0.50179   1.13270
O22     -0.30566  -0.38811   1.20661
O23      0.19299   0.50001   1.13464
O24      0.29881   0.38645   1.21128
O25     -0.30375   0.38387   1.20540
O26      0.29475  -0.38462   1.21379
O27      0.49842   0.38635   0.36323
O28      0.39983   0.50072   0.27674
O29     -0.50258  -0.38865   0.36542
O30     -0.40641  -0.50127   0.27521
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Coordination Sequence :
#
# PCOD3003565 SiO2            R =  0.0137   25
#   6
#   2  1  2  2  4  4
#    4  10  15  18  22  27  35  39  38   0
#    4  10  14  20  20  28  36  36  42   0
#    4   8  12  21  24  29  34  33  46   0
#    4  10  13  16  24  29  30  39  45   0
#    4   8  13  19  27  26  32  39  42   0
#    4   8  14  21  23  29  35  35  42   0
#
#_framework_density    7.20
#
