Geometry

Info

ID:

3380

ICSD:

174291

Name:

Dibarium bismuth iridium(V) hexaoxide

Comp.:

Ba2Bi1Ir1O6

Symm.:

I-1(2)

Latt.:

triclinic

Spin:

3.575

Eg/Eg':

2.043/1.960 eV

me/mh:

-28.858/-217.606

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands