Geometry

Info

ID:

6172

ICSD:

50988

Name:

Potassium oxochlorophosphato(V)molybdate

Comp.:

Cl1K1Mo1O5P1

Symm.:

P4/nmmZ(129)

Latt.:

tetragonal

Spin:

1.951

Eg/Eg':

2.371/2.190 eV

me/mh:

1488.421/25.986

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