Materials Data on Sc2Ge2O7 by Materials Project

Abstract

Sc2Ge2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.10 Å) and six longer (2.36 Å) Sc–O bond lengths. Ge4+ is bonded to six equivalent O2- atoms to form corner-sharing GeO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Ge–O bond lengths are 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with sixteen OSc4 tetrahedra and edges with six equivalent OSc2Ge2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sc3+ and two equivalent Ge4+ atoms to form a mixture of distorted edge and corner-sharing OSc2Ge2 tetrahedra.