Geometry

Info

ID:

8479

ICSD:

194597

Name:

Lithium iron sulfate fluoride

Comp.:

F1Fe1Li1O4S1

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

7.805

Eg/Eg':

4.800/None eV

me/mh:

29.798/-55.680

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands