Materials Data on Pr5Ir3 by Materials Project
Pr5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to five Ir atoms to form distorted PrIr5 trigonal bipyramids that share corners with four equivalent PrIr4 tetrahedra, corners with eleven equivalent PrIr5 trigonal bipyramids, an edgeedge with one PrIr4 tetrahedra, edges with six equivalent PrIr5 trigonal bipyramids, and faces with two equivalent PrIr5 trigonal bipyramids. There are a spread of Pr–Ir bond distances ranging from 2.99–3.27 Å. In the second Pr site, Pr is bonded to four equivalent Ir atoms to form PrIr4 tetrahedra that share corners with sixteen equivalent PrIr5 trigonal bipyramids, edges with two equivalent PrIr4 tetrahedra, and edges with four equivalent PrIr5 trigonal bipyramids. All Pr–Ir bond lengths are 2.97 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Pr atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Pr atoms.