Geometry

Info

ID:

679

ICSD:

99659

Name:

Trisodium hexafluoroaluminate

Comp.:

Al1F6Na3

Symm.:

P121/n1(14)

Latt.:

monoclinic

Spin:

0.000

Eg/Eg':

6.802/6.758 eV

me/mh:

-30.427/-2238.520

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