Geometry

Info

ID:

8842

ICSD:

23173

Name:

Dilithium hexafluoromolybdate(IV)

Comp.:

F6Li2Mo1

Symm.:

 P42212(94)

Latt.:

 tetragonal

Spin:

 3.949

Eg/Eg':

2.351/2.294 eV

me/mh:

122.224/-41.866

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