Geometry

Info

ID:

6389

ICSD:

39765

Name:

Iron(III) chloride - II

Comp.:

Cl3Fe1

Symm.:

 P312(149)

Latt.:

 hexagonal

Spin:

 24.401

Eg/Eg':

0.973/0.919 eV

me/mh:

540.964/-1167.188

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands