Geometry

Info

ID:

6458

ICSD:

23337

Name:

Yttrium chloride (2/3)

Comp.:

Cl3Y2

Symm.:

 C12/m1(12)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

0.809/0.787 eV

me/mh:

59.609/-99.672

K-data

high symmetry path:

G - Y - V - G - A - M - L - V

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.5 L: 0.5 0.0 0.5 V: 0.5 0.0 0.0 Y: 0.5 0.5 0.0

DOS

Bands