Geometry

Info

ID:

3188

ICSD:

79507

Name:

Barium phyllo-bis(phosphato)molybdate

Comp.:

Ba1Mo1O8P2

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 3.889

Eg/Eg':

1.802/1.688 eV

me/mh:

485.668/-30.095

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands