Geometry

Info

ID:

6487

ICSD:

411351

Name:

Tetrachloronium hexafluoroiridate

Comp.:

Cl4F6Ir1

Symm.:

P121/c1(14)

Latt.:

monoclinic

Spin:

5.510

Eg/Eg':

2.542/2.510 eV

me/mh:

151.401/227.440

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands