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7634 Bi2I4

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  #           Species Formula
  7624 Bi2Cl4Cl4Bi2
  7625 Bi2Cl4 (Geo)Cl4Bi2
  7626 Bi2Cl6Cl6Bi2
  7627 Bi2Cl6 (Geo)Cl6Bi2
  7628 Bi(III)Cl5(2-) (KAMWOK) (Geo)Cl8Bi2
  7629 Bi(III)Cl5(2-) (KAMWOK)Cl8Bi2
  7630 Bi2Br4Br4Bi2
  7631 Bi2Br4 (Geo)Br4Bi2
  7632 Bi2Br6Br6Bi2
  7633 Bi2Br6 (Geo)Br6Bi2
  7634 Bi2I4 I4Bi2
  7635 Bi2I4 (Geo)I4Bi2
  7636 Bi2I6I6Bi2
  7637 Bi2I6 (Geo)I6Bi2
  1 Hydrogen, cationH
  2 Hydrogen, atomH
  3 Hydrogen (Geo)H2
  4 HydrogenH2
  5 Helium, atomHe
  6 Lithium, cationLi
  7 Lithium, 2P(u) 2s(0) 2p(1)Li



DHf: -5.1 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.

  

Bi2I4
 H=-5.1 HR=PW91D
 Bi         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Bi         3.43496419 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  I         3.09280358 +1   90.2708702 +1    0.0000000 +0    2    1    0       0.0000
  I         3.09291213 +1   90.2618609 +1  -95.4452130 +1    2    1    3       0.0000
  I         3.09289389 +1   90.2619687 +1 -179.8529572 +1    1    2    3       0.0000
  I         3.09285868 +1   90.2685629 +1   95.4748906 +1    1    2    5       0.0000