Geometry

Info

ID:

3282

ICSD:

173002

Name:

Barium nonaoxotetravanadate(IV)

Comp.:

Ba1O9V4

Symm.:

P12/c1(13)

Latt.:

monoclinic

Spin:

7.729

Eg/Eg':

1.332/1.313 eV

me/mh:

69.669/-29.336

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