Geometry

Info

ID:

3496

ICSD:

391434

Name:

Dibarium oxide diiodide

Comp.:

Ba2I2O1

Symm.:

 Ibam(72)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

3.055/None eV

me/mh:

4.631/-59.357

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 -0.5 -0.5

DOS

Bands