Geometry

Info

ID:

6198

ICSD:

50989

Name:

Rubidium oxochlorophosphato(V)molybdate

Comp.:

Cl1Mo1O5P1Rb1

Symm.:

 P4/nmmZ(129)

Latt.:

 tetragonal

Spin:

 1.950

Eg/Eg':

2.283/2.105 eV

me/mh:

-211.802/25.151

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