Geometry

Info

ID:

6390

ICSD:

10135

Name:

Potassium iron chloride

Comp.:

Cl3Fe1K1

Symm.:

 Pnma(62)

Latt.:

 orthorhombic

Spin:

 15.148

Eg/Eg':

3.838/3.746 eV

me/mh:

6.423/-67.676

K-data

high symmetry path:

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

high symmetry points:

G: 0.0 0.0 0.0 S: -0.5 0.5 0.0 R: -0.5 0.5 0.5 U: 0.0 0.5 0.5 T: -0.5 0.0 0.5 Y: -0.5 0.0 0.0 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands