Geometry

Info

ID:

6149

ICSD:

281495

Name:

Trinitrosoiron(I) chloride

Comp.:

Cl1Fe1N3O3

Symm.:

 P63mc(186)

Latt.:

 hexagonal

Spin:

 1.828

Eg/Eg':

2.196/None eV

me/mh:

-56.210/-260.774

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