Materials Data on V2Ga5 by Materials Project

Abstract

V2Ga5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. V is bonded to two equivalent V and ten Ga atoms to form a mixture of corner, edge, and face-sharing VV2Ga10 cuboctahedra. Both V–V bond lengths are 2.68 Å. There are a spread of V–Ga bond distances ranging from 2.65–2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent V and six Ga atoms. There are two shorter (2.68 Å) and four longer (2.70 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to four equivalent V and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.96 Å.