Geometry

Info

ID:

5725

ICSD:

69873

Name:

Tricalcium diiron(III) pentaoxide dichloride

Comp.:

Ca3Cl2Fe2O5

Symm.:

 I4/mmm(139)

Latt.:

 tetragonal

Spin:

 19.460

Eg/Eg':

3.878/2.882 eV

me/mh:

2.505/-2.543

K-data

high symmetry path:

G - X - P - N - G - Z

high symmetry points:

G: 0.0 0.0 0.0 Z: 0.5 0.5 -0.5 N: 0.0 0.5 0.0 P: 0.25 0.25 0.25 X: 0.0 0.0 0.5

DOS

Bands