Geometry

Info

ID:

2058

ICSD:

15113

Name:

Lithium trioxoaurate

Comp.:

Au1Li3O3

Symm.:

 P42/mnm(136)

Latt.:

 tetragonal

Spin:

 0.000

Eg/Eg':

2.103/1.868 eV

me/mh:

-87.631/60.671

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands