Geometry

Info

ID:

5640

ICSD:

150697

Name:

Dicalcium ferro(III)rhenate(V)

Comp.:

Ca2Fe1O6Re1

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

6.228

Eg/Eg':

2.767/2.663 eV

me/mh:

2242.696/-5057.934

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands