Geometry

Info

ID:

2767

ICSD:

412710

Name:

Calcium tetraborate - beta

Comp.:

B4Ca1O7

Symm.:

 Pmn21(31)

Latt.:

 orthorhombic

Spin:

 0.000

Eg/Eg':

6.665/6.372 eV

me/mh:

26.496/-37.484

K-data

high symmetry path:

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

high symmetry points:

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

DOS

Bands