Geometry

Info

ID:

3024

ICSD:

240981

Name:

Barium hexafluoroiridate(IV)

Comp.:

Ba1F6Ir1

Symm.:

 R-3H(148)

Latt.:

 rhombohedral

Spin:

 2.867

Eg/Eg':

2.828/2.797 eV

me/mh:

-224.137/-2027.151

K-data

high symmetry path:

G - L - F - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 0.5 L: 0.0 0.5 0.0 F: 0.5 0.5 0.0

DOS

Bands