Geometry

Info

ID:

6556

ICSD:

62035

Name:

Trisodium hexachlorochromate(III)

Comp.:

Cl6Cr1Na3

Symm.:

P-31c(163)

Latt.:

hexagonal

Spin:

5.588

Eg/Eg':

1.986/1.967 eV

me/mh:

-376.970/3905.038

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