data_PCOD3103687
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3103687 R =  0.0174
Probable space group: P B A 2
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   16
_cell_length_a          5.3414
_cell_length_b         13.3040
_cell_length_c         36.7643
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2612.56
_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      0.36840   0.10070   0.25647
Si2      0.63449   0.89738   0.25815
Si3      0.85532   0.40125   0.25747
Si4      0.11938   0.60267   0.25795
Si5      0.59426   0.26506   0.21498
Si6     -0.58420  -0.26972   0.21778
Si7      1.09325   0.23878   0.21585
Si8     -0.08791   0.76815   0.21674
Si9      0.16868   0.10430   0.33862
Si10     -0.15759  -0.09302   0.33979
Si11      0.66075   0.40760   0.33975
Si12      0.33363   0.60237   0.33898
Si13      0.97332   0.27856   0.37815
Si14     -0.96210  -0.26696   0.38015
Si15      1.46956   0.23428   0.37900
Si16     -0.46309   0.77462   0.37941
O1      0.57476   0.18636   0.24835
O2      0.28234   0.09747   0.29829
O3      0.12620   0.12655   0.23192
O4      0.48077  -0.00608   0.24439
O5      0.86784   0.88173   0.23085
O6      0.45393   0.80103   0.25311
O7      0.73597   0.91026   0.29889
O8      0.61438   0.37600   0.23248
O9      1.06078   0.31496   0.24978
O10      0.76824   0.41213   0.29889
O11      0.96984   0.50618   0.24358
O12     -0.05843   0.69940   0.25280
O13      0.21776   0.59128   0.29887
O14      0.36166   0.61767   0.23209
O15      0.84210   0.24358   0.19152
O16      0.33860   0.26256   0.19188
O17     -0.33011  -0.26773   0.19412
O18     -0.82710  -0.23531   0.19484
O19     -0.00035   0.00757   0.34842
O20      0.00495   0.20597   0.34304
O21      0.40203   0.12144   0.36600
O22      0.01407  -0.19201   0.34557
O23     -0.39566  -0.11247   0.36623
O24      0.49645   0.50497   0.34968
O25      0.90179   0.39156   0.36585
O26      0.49513   0.30660   0.34377
O27      0.50185   0.70233   0.34429
O28      0.10025   0.62031   0.36634
O29      1.22957   0.27467   0.40133
O30      0.73320   0.23709   0.40033
O31     -0.72002  -0.22817   0.40250
O32     -1.22297  -0.26481   0.40203
#
#_symmetry_space_group_name_H-M  P B A 2
#_symmetry_Int_Tables_number   32
#
#   Coordination Sequence :
#
# PCOD3103687 SiO2            R =  0.0174   32
#   2
#   8  8
#    4  10  20  24  36  42  47   0   0   0
#    4   8  19  30  34  40  52   0   0   0
#
#_framework_density    6.12
#