Materials Data on V2GaFe by Materials Project
V2FeGa crystallizes in the orthorhombic Cmm2 space group. The structure is two-dimensional and consists of one V2FeGa sheet oriented in the (0, 0, 1) direction. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to four equivalent Ga atoms. There are two shorter (2.65 Å) and two longer (2.98 Å) V–Ga bond lengths. In the second V site, V is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.48 Å) and two longer (2.83 Å) V–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Fe–Fe bond lengths are 2.60 Å. There are two shorter (2.51 Å) and two longer (2.85 Å) Fe–Ga bond lengths. Ga is bonded in a 12-coordinate geometry to four equivalent V, four equivalent Fe, and four equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å.