Geometry

Info

ID:

6560

ICSD:

39666

Name:

Iron hexachlorozirconate

Comp.:

Cl6Fe1Zr1

Symm.:

 P-31c(163)

Latt.:

 hexagonal

Spin:

 7.613

Eg/Eg':

2.448/None eV

me/mh:

51.718/-112.115

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