Geometry

Info

ID:

8879

ICSD:

26073

Name:

Sodium hexafluoroniccolate(III)

Comp.:

F6Na3Ni1

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

1.970

Eg/Eg':

1.725/1.721 eV

me/mh:

-998.157/-691.594

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