data_PCOD3102426
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD3102426 R =  0.0144
Probable space group: C M M A
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   32
_cell_length_a          9.1120
_cell_length_b         14.0700
_cell_length_c         31.1398
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3992.29
_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      0.22626   0.25020   0.44695
Si2      0.77865   0.24933   0.44759
Si3      0.80275   0.74720   0.54953
Si4      0.23136   0.75128   0.54822
Si5      0.73176   0.74552   0.44904
Si6      0.30314   0.74990   0.44770
Si7      0.28065   0.24645   0.54847
Si8      0.72897   0.24238   0.54920
Si9     -0.15396   0.08986   0.39322
Si10      0.16398   0.40813   0.38915
Si11      0.17163   0.59061  -0.39704
Si12     -0.14017  -0.09761  -0.39332
Si13      0.16415  -0.09756  -0.39474
Si14     -0.14831   0.58510  -0.39531
Si15     -0.15673   0.40349   0.38861
Si16      0.15914   0.09120   0.39230
Si17      0.35634   0.59224   0.39234
Si18      0.67215  -0.09556   0.39153
Si19      0.66398   0.08251  -0.39541
Si20      0.34761   0.40095  -0.39473
Si21      0.66314   0.39848  -0.39374
Si22      0.34642   0.08669  -0.39637
Si23      0.35673  -0.08953   0.38995
Si24      0.66687   0.59381   0.39104
Si25     -0.15305   0.24085  -0.37011
Si26      0.16037   0.24359  -0.37109
Si27      0.17383  -0.25036   0.36949
Si28     -0.14099  -0.25208   0.36926
Si29      0.35832  -0.25116  -0.37244
Si30      0.67406  -0.25107  -0.37111
Si31      0.65518   0.24276   0.36799
Si32      0.34345   0.24670   0.36655
O1      0.25437   0.25000   0.49767
O2      0.14137   0.34528   0.43227
O3      0.13228   0.15732   0.43409
O4      0.37348   0.24491   0.41797
O5      0.75585   0.24776   0.49849
O6      0.62942   0.24314   0.41962
O7      0.87559   0.15778   0.43421
O8      0.86485   0.34382   0.43263
O9      0.76669   0.75236   0.49926
O10      0.65262   0.75343   0.57728
O11      0.87641   0.64667   0.56148
O12      0.89896   0.83668   0.56549
O13      0.26711   0.75572   0.49799
O14      0.14959   0.65278   0.55981
O15      0.12902   0.83850   0.56344
O16      0.38145   0.75477   0.57598
O17      0.64124   0.65167   0.43534
O18      0.64151   0.83778   0.43270
O19      0.88100   0.74419   0.42081
O20      0.38849   0.65330   0.43527
O21      0.38583   0.84479   0.43184
O22      0.15094   0.74643   0.42094
O23      0.37707   0.33733   0.56284
O24      0.37052   0.15173   0.56141
O25      0.13367   0.24693   0.57725
O26      0.64143   0.14655   0.56200
O27      0.63444   0.33394   0.56412
O28      0.87551   0.24360   0.57834
O29      0.00237   0.05576   0.37467
O30     -0.24877  -0.00031   0.40816
O31     -0.24332   0.15105   0.35808
O32      0.00357   0.42515   0.36873
O33      0.24801   0.50468   0.40120
O34      0.26198   0.34596   0.35628
O35      0.01389   0.56514  -0.37662
O36      0.25623   0.49348  -0.40836
O37      0.26956   0.65158  -0.36371
O38      0.01324  -0.06020  -0.37371
O39     -0.24424  -0.01121  -0.40769
O40     -0.22392  -0.16179  -0.35812
O41      0.26038  -0.00789  -0.40993
O42      0.25552  -0.16105  -0.36088
O43     -0.23645   0.48880  -0.40549
O44     -0.24016   0.65047  -0.36214
O45     -0.23349   0.50232   0.40098
O46     -0.25716   0.33952   0.35726
O47      0.26901   0.00504   0.40333
O48      0.23692   0.15769   0.35650
O49      0.51115   0.55826   0.37245
O50      0.27786   0.66078   0.35761
O51      0.51646  -0.06859   0.36977
O52      0.77625  -0.15329   0.35879
O53      0.50384   0.05821  -0.37649
O54      0.75506   0.14481  -0.36087
O55      0.50545   0.43043  -0.37535
O56      0.25640   0.33714  -0.36086
O57      0.74836   0.33287  -0.35915
O58      0.25290   0.14779  -0.36199
O59      0.25732  -0.15229   0.35784
O60      0.75127   0.66098   0.35710
O61      0.00488   0.24284  -0.34688
O62      0.01644  -0.25813   0.34630
O63      0.51517  -0.24817  -0.34884
O64      0.50035   0.23780   0.34324
#
#_symmetry_space_group_name_H-M  C M M A
#_symmetry_Int_Tables_number   67
#
#   Coordination Sequence :
#
# PCOD3102426 SiO2            R =  0.0144   67
#   3
#   8 16  8
#    4   8  18  28  34  42  50  58  66  76
#    4   9  17  27  36  44  51  59  67  74
#    4   8  16  26  36  44  52  60  66  76
#
#_framework_density    8.02
#