Geometry

Info

ID:

5637

ICSD:

89956

Name:

Dicalcium ferro(II)molybdate

Comp.:

Ca2Fe1Mo1O6

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

11.768

Eg/Eg':

1.739/1.702 eV

me/mh:

67.040/-598.901

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