DOE OSTI2020
Y4ZnGa3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to one Zn and six Ga atoms. The Y–Zn bond length is 3.13 Å. There are four shorter (3.06 Å) and two longer (3.19 Å) Y–Ga bond lengths. In the second Y site, Y is bonded in a 7-coordinate geometry to two equivalent Zn and five Ga atoms. Both Y–Zn bond lengths are 3.14 Å. There are four shorter (3.06 Å) and one longer (3.11 Å) Y–Ga bond lengths. In the third Y site, Y is bonded in a 7-coordinate geometry to seven Ga atoms. There are a spread of Y–Ga bond distances ranging from 3.06–3.19 Å. In the fourth Y site, Y is bonded in a 7-coordinate geometry to four equivalent Zn and three Ga atoms. All Y–Zn bond lengths are 3.07 Å. There are one shorter (3.10 Å) and two longer (3.17 Å) Y–Ga bond lengths. Zn is bonded in a 9-coordinate geometry to seven Y and two equivalent Ga atoms. Both Zn–Ga bond lengths are 2.71 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Y and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.62 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to seven Y and two equivalent Zn atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to seven Y and two equivalent Ga atoms.