Materials Data on PrIn5Rh by Materials Project

Abstract

PrRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr is bonded to twelve In atoms to form PrIn12 cuboctahedra that share corners with four equivalent PrIn12 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra. There are eight shorter (3.31 Å) and four longer (3.34 Å) Pr–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.79 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Pr, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.31 Å. In the second In site, In is bonded to four equivalent Pr and eight equivalent In atoms to form distorted InPr4In8 cuboctahedra that share corners with four equivalent InPr4In8 cuboctahedra, faces with four equivalent PrIn12 cuboctahedra, and faces with four equivalent InPr4In8 cuboctahedra.