Geometry

Info

ID:

4552

ICSD:

401335

Name:

Trisodium scandium hexabromide

Comp.:

Br6Na3Sc1

Symm.:

P-31c(163)

Latt.:

hexagonal

Spin:

0.000

Eg/Eg':

3.351/None eV

me/mh:

884.801/-209.695

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