Geometry

Info

ID:

7892

ICSD:

4327

Name:

Copper bis(iodate(V)) - alpha

Comp.:

Cu1I2O6

Symm.:

 P1211(4)

Latt.:

 monoclinic

Spin:

 1.907

Eg/Eg':

2.641/2.580 eV

me/mh:

-66.858/-71.349

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