Geometry

Info

ID:

3199

ICSD:

417444

Name:

Barium octanitrido hexasilicate

Comp.:

Ba1N8Si6

Symm.:

 Imm2(44)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

3.597/3.289 eV

me/mh:

11.472/-12.078

K-data

high symmetry path:

R - G - X - S - W - T

high symmetry points:

G: 0.0 0.0 0.0 S: 0.5 0.0 -0.5 R: 0.5 0.0 0.0 T: 0.5 -0.5 0.0 W: 0.75 -0.25 -0.25 X: 0.5 -0.5 -0.5

DOS

Bands