Materials Data on Eu2Ga3Ir by Materials Project

Abstract

Eu2IrGa3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to three equivalent Ir and nine Ga atoms. There are two shorter (3.31 Å) and one longer (3.32 Å) Eu–Ir bond lengths. There are three shorter (3.13 Å) and six longer (3.34 Å) Eu–Ga bond lengths. Ir is bonded to six equivalent Eu and six Ga atoms to form IrEu6Ga6 cuboctahedra that share corners with twelve GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent IrEu6Ga6 cuboctahedra, faces with two equivalent IrEu6Ga6 cuboctahedra, and faces with eighteen GaEu6Ga4Ir2 cuboctahedra. There are four shorter (2.69 Å) and two longer (2.70 Å) Ir–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to six equivalent Eu, two equivalent Ir, and four equivalent Ga atoms to form distorted GaEu6Ga4Ir2 cuboctahedra that share corners with four equivalent IrEu6Ga6 cuboctahedra, corners with fourteen GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent GaEu6Ga4Ir2 cuboctahedra, faces with six equivalent IrEu6Ga6 cuboctahedra, and faces with twelve equivalent GaEu6Ga4Ir2 cuboctahedra. There are two shorter (2.73 Å) and two longer (2.96 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to six equivalent Eu, two equivalent Ir, and four Ga atoms to form distorted GaEu6Ga4Ir2 cuboctahedra that share corners with four equivalent IrEu6Ga6 cuboctahedra, corners with fourteen GaEu6Ga4Ir2 cuboctahedra, edges with six equivalent GaEu6Ga4Ir2 cuboctahedra, faces with six equivalent IrEu6Ga6 cuboctahedra, and faces with twelve GaEu6Ga4Ir2 cuboctahedra. There are one shorter (2.71 Å) and one longer (2.98 Å) Ga–Ga bond lengths.