Materials Data on LaInNi2 by Materials Project

Abstract

LaNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.72–3.13 Å. There are four shorter (3.39 Å) and two longer (3.46 Å) La–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent In atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–In bond lengths are 2.66 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiLa4In2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.64 Å. Both Ni–In bond lengths are 2.78 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Ni atoms.