Geometry

Info

ID:

6148

ICSD:

202188

Name:

Iron(III) chloride molybdate

Comp.:

Cl1Fe1Mo1O4

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 9.734

Eg/Eg':

3.848/None eV

me/mh:

-26.200/-164.113

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