Geometry

Info

ID:

8666

ICSD:

423598

Name:

Sodium nickel trifluoride

Comp.:

F3Na1Ni1

Symm.:

 Cmcm(63)

Latt.:

 orthorhombic

Spin:

 7.923

Eg/Eg':

5.131/5.106 eV

me/mh:

0.731/-34.005

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands