Materials Data on V10Si6B by Materials Project

Abstract

V10BSi6 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent V+2.10+ sites. In the first V+2.10+ site, V+2.10+ is bonded in a 6-coordinate geometry to one B3+ and five equivalent Si4- atoms. The V–B bond length is 2.14 Å. There are a spread of V–Si bond distances ranging from 2.48–2.68 Å. In the second V+2.10+ site, V+2.10+ is bonded in a 8-coordinate geometry to two equivalent V+2.10+ and six equivalent Si4- atoms. Both V–V bond lengths are 2.43 Å. All V–Si bond lengths are 2.51 Å. In the third V+2.10+ site, V+2.10+ is bonded in a 8-coordinate geometry to two equivalent V+2.10+ and six equivalent Si4- atoms. All V–Si bond lengths are 2.50 Å. B3+ is bonded in a 6-coordinate geometry to six equivalent V+2.10+ atoms. Si4- is bonded in a 9-coordinate geometry to nine V+2.10+ atoms.