Materials Data on PrInNi2 by Materials Project

Abstract

PrNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Pr is bonded in a 3-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of Pr–Ni bond distances ranging from 2.74–3.13 Å. There are four shorter (3.34 Å) and two longer (3.43 Å) Pr–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Pr, six Ni, and two equivalent In atoms to form a mixture of face, edge, and corner-sharing NiPr4In2Ni6 cuboctahedra. There are four shorter (2.53 Å) and two longer (2.60 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.78 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr, four equivalent Ni, and two equivalent In atoms. Both Ni–In bond lengths are 2.66 Å. In is bonded in a 12-coordinate geometry to six equivalent Pr and four Ni atoms.