data_PCOD1410006
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiO2           PCOD1410006 R =  0.0173
Probable space group: I 41/A M D                          
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_chemical_formula_sum  "Si O2"
_cell_formula_units_Z   32
_cell_length_a         36.3826
_cell_length_b         36.3826
_cell_length_c          2.7141
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3592.62
_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     -0.00052   0.36092   0.87495
Si2      0.50099   0.63826   0.36472
Si3      0.88785   0.75009   0.13321
Si4      0.60864   0.24948   0.62280
Si5      0.49919   0.36323   0.61106
Si6     -0.00209   0.63418   0.13757
Si7      0.61281   0.74982   0.39796
Si8      0.88600   0.24929  -0.13432
Si9      0.49981   0.86023   0.38891
Si10     -0.00053   0.13765   0.87851
Si11      0.38923   0.25051   0.62441
Si12      0.10796   0.74977   0.12180
Si13     -0.00057   0.86294   0.11436
Si14      0.49902   0.13575   0.62144
Si15      0.11054   0.24887  -0.14562
Si16      0.38725   0.74833   0.38111
Si17      0.07993   0.32974  -0.12917
Si18      0.42046  -0.33130   0.39186
Si19     -0.07987  -0.17032   0.10504
Si20      0.57876   0.16945  -0.38119
Si21     -0.07907  -0.32947   0.12513
Si22      0.57928   0.33026  -0.37820
Si23      0.08110   0.16923  -0.12912
Si24      0.42114  -0.17203   0.39889
Si25      0.58081  -0.17174   0.37840
Si26     -0.07898   0.16929  -0.14494
Si27      0.41913   0.33185  -0.38550
Si28      0.07749  -0.32886   0.13744
Si29      0.41972   0.17116  -0.36652
Si30      0.08036  -0.16815   0.12294
Si31      0.58123  -0.33148   0.36760
Si32     -0.08000   0.32769  -0.12847
O1     -0.00057   0.38493   1.37512
O2      0.03603   0.33594   0.87236
O3     -0.03629   0.33498   0.87282
O4      0.46448   0.66327   0.37856
O5      0.53708   0.66407   0.36763
O6      0.50124   0.61425   0.86487
O7      0.86393   0.74990   0.63269
O8      0.91384   0.78586   0.11853
O9      0.91387   0.71420   0.13092
O10      0.63271   0.24928   1.12272
O11      0.58273   0.21366   0.61935
O12      0.58388   0.28618   0.62224
O13      0.49903   0.38716   1.11154
O14      0.53567   0.33811   0.61625
O15      0.46312   0.33752   0.61274
O16     -0.03544   0.66325   0.13161
O17      0.03513   0.65823   0.13735
O18     -0.00389   0.61033   0.63764
O19      0.58480   0.78413   0.38888
O20      0.58990   0.71199   0.38226
O21      0.63670   0.75159   0.89652
O22      0.91028   0.21229  -0.13939
O23      0.91369   0.28389  -0.13190
O24      0.86198   0.25027   0.36571
O25      0.46525   0.83257   0.39503
O26      0.53738   0.83698   0.38289
O27      0.49833   0.88418   0.88909
O28     -0.00253   0.11369   1.37820
O29      0.03778   0.15981   0.87445
O30     -0.03472   0.16589   0.86611
O31      0.36517   0.24952   1.12469
O32      0.41269   0.28797   0.61938
O33      0.41620   0.21535   0.62919
O34      0.07968   0.71553   0.13098
O35      0.08552   0.78783   0.12459
O36      0.13193   0.74769   0.62254
O37     -0.03615   0.83668   0.10901
O38      0.03659   0.83883   0.11959
O39     -0.00118   0.88705   0.61431
O40      0.49907   0.11173   1.12093
O41      0.53523   0.16115   0.61925
O42      0.46284   0.16122   0.62638
O43      0.08649   0.28595  -0.13642
O44      0.08398   0.21346  -0.13833
O45      0.13454   0.24785   0.35443
O46      0.41301   0.71235   0.38551
O47      0.41284   0.78446   0.39154
O48      0.36326   0.74825   0.88150
O49      0.09661   0.34675   0.37132
O50      0.40396  -0.34861   0.89168
O51     -0.09673  -0.15332   0.60540
O52      0.59645   0.15344   0.11856
O53     -0.09612  -0.34642   0.62560
O54      0.59677   0.34653   0.12121
O55      0.09927   0.15371   0.37077
O56      0.40506  -0.15430   0.89902
O57      0.59874  -0.15589   0.87856
O58     -0.09454   0.15108   0.35546
O59      0.40242   0.34897   0.11445
O60      0.09639  -0.34361   0.63749
O61      0.40157   0.15544   0.13383
O62      0.09753  -0.15141   0.62244
O63      0.59744  -0.34912   0.86834
O64     -0.09705   0.34447   0.37125
#
#_symmetry_space_group_name_H-M  I 41/A M D                          
#_symmetry_Int_Tables_number  141
#
#   Starting Wyckoff positions:
#
#    1    16h     0.0000   0.3633   0.8794
#    2    16g     0.0846   0.3346  -0.1250
#
#   Coordination Sequence :
#
# PCOD1410006 SiO2            R =  0.0173  141
#   1
#  32
#    4   8  12  15   0   0   0   0   0   0
#
#_framework_density    8.91
#
