Geometry

Info

ID:

1739

ICSD:

80349

Name:

Nickel catena-trioxoarsenate(III)

Comp.:

As2Ni1O6

Symm.:

 P-31m(162)

Latt.:

 hexagonal

Spin:

 1.978

Eg/Eg':

2.450/2.302 eV

me/mh:

2.264/-42.119

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands