Materials Data on Sc2V3Ge4 by Materials Project

Abstract

Sc2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.69–2.88 Å. There are two inequivalent V sites. In the first V site, V is bonded to six Ge atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of V–Ge bond distances ranging from 2.57–2.69 Å. In the second V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.49–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six V, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.66 Å.