Geometry

Info

ID:

9031

ICSD:

186517

Name:

Lithium iron silicate

Comp.:

Fe1Li1O4Si1

Symm.:

 P1(1)

Latt.:

 monoclinic

Spin:

 9.591

Eg/Eg':

4.713/4.703 eV

me/mh:

-16.419/-49.441

K-data

high symmetry path:

G - Z - C - Y - G - B - D - E0 - A0 - Y

high symmetry points:

G: 0.0 0.0 0.0 C: 0.5 0.5 0.0 B: 0.0 0.0 0.5 D: 0.0 0.5 0.5 A0: 0.5 0.0 0.5 Y: 0.5 0.0 0.0 Z: 0.0 0.5 0.0 E0: 0.5 0.5 0.5

DOS

Bands