Geometry

Info

ID:

10629

ICSD:

78387

Name:

Diiodine pentaoxide

Comp.:

I2O5

Symm.:

 P121/c1(14)

Latt.:

 monoclinic

Spin:

 0.000

Eg/Eg':

2.827/2.761 eV

me/mh:

12.923/-81.063

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