Materials Data on EuInNi5 by Materials Project

Abstract

EuNi5In crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a distorted hexagonal planar geometry to eighteen Ni and two equivalent In atoms. There are six shorter (2.82 Å) and twelve longer (3.17 Å) Eu–Ni bond lengths. Both Eu–In bond lengths are 3.28 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to twelve Ni and six equivalent In atoms. There are six shorter (2.98 Å) and six longer (3.26 Å) Eu–Ni bond lengths. All Eu–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Eu and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.82 Å. In the second Ni site, Ni is bonded to three Eu, seven Ni, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing NiEu3In2Ni7 cuboctahedra. There are three shorter (2.43 Å) and two longer (2.46 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.76 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three equivalent Eu, three equivalent Ni, and four equivalent In atoms. There are one shorter (2.62 Å) and three longer (2.91 Å) Ni–In bond lengths. In is bonded in a 1-coordinate geometry to four Eu and ten Ni atoms.