Materials Data on Lu5Ir3 by Materials Project
Lu5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to five Ir atoms to form distorted LuIr5 trigonal bipyramids that share corners with four equivalent LuIr4 tetrahedra, corners with eleven equivalent LuIr5 trigonal bipyramids, an edgeedge with one LuIr4 tetrahedra, edges with six equivalent LuIr5 trigonal bipyramids, and faces with two equivalent LuIr5 trigonal bipyramids. There are a spread of Lu–Ir bond distances ranging from 2.84–3.06 Å. In the second Lu site, Lu is bonded to four equivalent Ir atoms to form LuIr4 tetrahedra that share corners with sixteen equivalent LuIr5 trigonal bipyramids, edges with two equivalent LuIr4 tetrahedra, and edges with four equivalent LuIr5 trigonal bipyramids. All Lu–Ir bond lengths are 2.79 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Lu atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Lu atoms.