Individual Molecules (Home)

7635 Bi2I4 (Geo)

# Species Formula

7625 Bi2Cl4 (Geo) Cl4Bi2

7626 Bi2Cl6 Cl6Bi2

7627 Bi2Cl6 (Geo) Cl6Bi2

7628 Bi(III)Cl5(2-) (KAMWOK) (Geo) Cl8Bi2

7629 Bi(III)Cl5(2-) (KAMWOK) Cl8Bi2

7630 Bi2Br4 Br4Bi2

7631 Bi2Br4 (Geo) Br4Bi2

7632 Bi2Br6 Br6Bi2

7633 Bi2Br6 (Geo) Br6Bi2

7634 Bi2I4 I4Bi2

7635 Bi2I4 (Geo) I4Bi2

7636 Bi2I6 I6Bi2

7637 Bi2I6 (Geo) I6Bi2

1 Hydrogen, cation H

2 Hydrogen, atom H

3 Hydrogen (Geo) H2

4 Hydrogen H2

5 Helium, atom He

6 Lithium, cation Li

7 Lithium, 2P(u) 2s(0) 2p(1) Li

8 Lithium, atom Li

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
 <Bi-Bi> <Bi-I> GR=PW91D GWT=0.5
 Bi         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
 Bi         3.09478800 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  I         3.04198300 +1   89.9756779 +1    0.0000000 +0    2    1    0       0.0000
  I         3.09129750 +1   90.7164546 +1  -95.3242410 +1    2    1    3       0.0000
  I         3.09200283 +1   90.8934835 +1  179.7176023 +1    1    2    3       0.0000
  I         3.09215500 +1   90.4936847 +1   95.3380482 +1    1    2    5       0.0000