Materials Data on Ge2Sb2O5 by Materials Project

Abstract

SbGe2SbO5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one antimony molecule and one Ge2SbO5 sheet oriented in the (0, 0, 1) direction. In the Ge2SbO5 sheet, Ge4+ is bonded to five O2- atoms to form GeO5 square pyramids that share corners with five equivalent GeO5 square pyramids and faces with four equivalent SbO12 cuboctahedra. All Ge–O bond lengths are 1.94 Å. Sb1+ is bonded to twelve O2- atoms to form SbO12 cuboctahedra that share corners with four equivalent SbO12 cuboctahedra, faces with four equivalent SbO12 cuboctahedra, and faces with eight equivalent GeO5 square pyramids. There are eight shorter (2.63 Å) and four longer (2.73 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ge4+ and two equivalent Sb1+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ and four equivalent Sb1+ atoms.