Geometry

Info

ID:

5295

ICSD:

171020

Name:

Calcium chlorite(III)

Comp.:

Ca1Cl2O4

Symm.:

 CccaZ(68)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

2.532/2.520 eV

me/mh:

124.966/71.240

K-data

high symmetry path:

R - S - G - Z - T - Y - G

high symmetry points:

G: 0.0 0.0 0.0 S: 0.0 0.5 0.0 R: 0.0 0.5 0.5 T: -0.5 0.5 0.5 Y: -0.5 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands