Geometry

Info

ID:

6282

ICSD:

64830

Name:

Iron chloride - high-pressure phase

Comp.:

Cl2Fe1

Symm.:

 R-3mH(166)

Latt.:

 rhombohedral

Spin:

 11.507

Eg/Eg':

4.165/None eV

me/mh:

6.445/36.020

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