Geometry

Info

ID:

3435

ICSD:

21055

Name:

Dibarium hexafluorocuprate

Comp.:

Ba2Cu1F6

Symm.:

 I112/m(12)

Latt.:

 orthorhombic

Spin:

 1.991

Eg/Eg':

5.572/4.076 eV

me/mh:

1.318/-248.645

K-data

high symmetry path:

G - Y - X - Z - G - L

high symmetry points:

Y: 0.0 -0.5 -0.5 G: 0.0 0.0 0.0 Z: 0.5 0.5 0.0 L: 0.5 0.0 0.0 X: 0.5 0.0 0.5

DOS

Bands