Geometry

Info

ID:

2781

ICSD:

237526

Name:

Hexalithium copper tetraborate

Comp.:

B4Cu1Li6O10

Symm.:

P-1(2)

Latt.:

triclinic

Spin:

0.963

Eg/Eg':

3.828/3.809 eV

me/mh:

2.687/-107.931

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