data_PCOD3008767
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3008767 R =  0.0120
Probable space group: P M M 2
;
_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   13
_cell_length_a         18.9574
_cell_length_b          7.8441
_cell_length_c         11.0743
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1646.79
_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      0.50071   0.00607   0.51462
Si2      0.42282   0.00295   0.28508
Si3     -0.42072   0.00758   0.28450
Si4     -0.41361   0.31841   0.14242
Si5      0.41517  -0.30242   0.14210
Si6     -0.41558  -0.30142   0.14585
Si7      0.41719   0.31842   0.14865
Si8     -0.42372  -0.16340  -0.09826
Si9      0.41853   0.19009  -0.09680
Si10     -0.42468   0.18797  -0.10055
Si11      0.41927  -0.16110  -0.10079
Si12      0.50010  -0.30453  -0.29984
Si13      0.49534   0.32093  -0.30236
O1      0.43163  -0.00524   0.42933
O2      0.56948   0.01590   0.42875
O3      0.50499  -0.16258   0.59609
O4      0.49448   0.17593   0.59533
O5      0.38233  -0.16156   0.23242
O6      0.38623   0.17791   0.24137
O7      0.50086   0.00279   0.22651
O8     -0.38244   0.17530   0.23224
O9     -0.38318  -0.16545   0.24007
O10     -0.38546   0.28977   0.00622
O11     -0.49840   0.30144   0.14185
O12     -0.39284   0.50850   0.18470
O13      0.38531  -0.27066   0.00749
O14      0.49985  -0.28386   0.14352
O15      0.39577  -0.49125   0.18924
O16     -0.38586  -0.25984   0.01247
O17      0.38373   0.28737   0.01622
O18     -0.38387   0.01232  -0.13101
O19     -0.50225  -0.11051  -0.05555
O20     -0.43180  -0.28641  -0.21363
O21      0.37733   0.01440  -0.12494
O22      0.42697   0.30405  -0.21637
O23      0.49717   0.13734  -0.05431
O24     -0.43429   0.29987  -0.22125
O25      0.42950  -0.27266  -0.22155
O26      0.49712  -0.49095  -0.36072
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Coordination Sequence :
#
# PCOD3008767 SiO2            R =  0.0120   25
#   5
#   1  2  4  4  2
#    4  10  18  22  22  24  36  44  50   0
#    4   8  16  21  24  27  36  44  43   0
#    4   9  13  18  27  35  35  35  42   0
#    4   8  12  19  28  32  36  37  39   0
#    4  10  16  21  25  28  33  41  47   0
#
#_framework_density    7.89
#
