Materials Data on PrAlNi by Materials Project

Abstract

PrNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are four shorter (2.94 Å) and one longer (2.97 Å) Pr–Ni bond lengths. There are two shorter (3.23 Å) and four longer (3.28 Å) Pr–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Al atoms. All Ni–Al bond lengths are 2.59 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Al atoms. All Ni–Al bond lengths are 2.82 Å. Al is bonded to six equivalent Pr, four Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing AlPr6Al2Ni4 cuboctahedra. Both Al–Al bond lengths are 2.78 Å.