Geometry

Info

ID:

6388

ICSD:

151400

Name:

Iron(III) chloride

Comp.:

Cl3Fe1

Symm.:

 R-3R(148)

Latt.:

 rhombohedral

Spin:

 1.953

Eg/Eg':

1.355/1.274 eV

me/mh:

-1188.464/-2403.490

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