Geometry

Info

ID:

2572

ICSD:

5244

Name:

Dicalcium diborate silicate

Comp.:

B2Ca2O7Si1

Symm.:

P-421m(113)

Latt.:

tetragonal

Spin:

0.000

Eg/Eg':

5.917/5.778 eV

me/mh:

-33.727/69.444

K-data

high symmetry path:

G - X - M - G - Z - R - A - Z

high symmetry points:

A: 0.5 0.5 0.5 G: 0.0 0.0 0.0 M: 0.5 0.5 0.0 R: 0.0 0.5 0.5 X: 0.0 0.5 0.0 Z: 0.0 0.0 0.5

DOS

Bands