Geometry

Info

ID:

6425

ICSD:

15996

Name:

Titanium trichloride azide

Comp.:

Cl3N3Ti1

Symm.:

 P-1(2)

Latt.:

 triclinic

Spin:

 0.000

Eg/Eg':

2.298/2.244 eV

me/mh:

81.329/-122.981

K-data

high symmetry path:

G - Z - T - Y - G - X - V - R - U

high symmetry points:

G: 0.0 0.0 0.0 R: 0.5 0.5 0.5 U: 0.5 0.0 0.5 T: 0.0 0.5 0.5 V: 0.5 0.5 0.0 Y: 0.0 0.5 0.0 X: 0.5 0.0 0.0 Z: 0.0 0.0 0.5

DOS

Bands