Accuracy

sb2i4   6221 Sb2I4

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    #  Species Formula
  6211 Rhodium(V) tetraiodide (Geo)RhI4
  6212 Rhodium(V) tetraiodideRhI4
  6213 Palladium(II) tetraiodidePdI4
  6214 Palladium(II) tetraiodide (Geo)PdI4
  6215 Cd(II)I4(2-) (HIBRUF) (Geo)CdI4
  6216 Cd(II)I4(2-) (HIBRUF)CdI4
  6217 In(III)I4(-) (AHOMIT) (Geo)InI4
  6218 In(III)I4(-) (AHOMIT)InI4
  6219 Sb(III)I4(-) (PICOIA) (Geo)SbI4
  6220 Sb(III)I4(-) (PICOIA)SbI4
  6221 Sb2I4 Sb2I4
  6222 Sb2I4 (Geo)Sb2I4
  6223 Te(II)I4(2-) (DAMFIG) (Geo)TeI4
  6224 Te(II)I4(2-) (DAMFIG)TeI4
  6225 Te(IV)CI4(-) (IJOJAS) (Geo)C6H5TeI4
  6226 Te(IV)CI4(-) (IJOJAS)C6H5TeI4
  6227 vanadium(V) pentaiodideVI5
  6228 vanadium(V) pentaiodide (Geo)VI5
  6229 Aluminum triiodide (Al2I6) (Geo)Al2I6
  6230 Aluminum triiodide dimerAl2I6
  6231 Scandium(III) hexaiodide (Geo)ScI6


ΔHf: 0.9 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Sb2I4
 H=0.9 HR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Sb     2.95978854 +1    0.0000000 +0    0.0000000 +0     1     0     0
  I     2.72161010 +1   96.7287998 +1    0.0000000 +0     2     1     0
  I     2.72937469 +1   95.1558712 +1  103.4620801 +1     2     1     3
  I     2.72151595 +1   96.7364720 +1  -49.3553122 +1     1     2     3
  I     2.72936462 +1   95.1417151 +1  103.4897416 +1     1     2     5