Materials Data on V2(CrSi)3 by Materials Project

Abstract

V2(CrSi)3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V2+ is bonded in a 7-coordinate geometry to one Cr+2.67+ and six Si4- atoms. The V–Cr bond length is 2.55 Å. There are a spread of V–Si bond distances ranging from 2.44–2.65 Å. There are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded in a 7-coordinate geometry to one V2+ and six Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.42–2.66 Å. In the second Cr+2.67+ site, Cr+2.67+ is bonded in a distorted hexagonal planar geometry to two equivalent Cr+2.67+ and four equivalent Si4- atoms. Both Cr–Cr bond lengths are 2.33 Å. All Cr–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+, four equivalent Cr+2.67+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.33 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to four equivalent V2+ and six Cr+2.67+ atoms.