Geometry

Info

ID:

6147

ICSD:

65346

Name:

Lithium iron chloride molybdate

Comp.:

Cl1Fe1Li1Mo1O4

Symm.:

P121/m1(11)

Latt.:

monoclinic

Spin:

7.793

Eg/Eg':

3.628/3.468 eV

me/mh:

27.284/-381.284

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands