Materials Data on La2InNi2 by Materials Project

Abstract

La2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.04 Å. There are two shorter (3.38 Å) and two longer (3.39 Å) La–In bond lengths. In the second La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.97–3.07 Å. All La–In bond lengths are 3.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La, two Ni, and one In atom. There are one shorter (2.47 Å) and one longer (2.54 Å) Ni–Ni bond lengths. The Ni–In bond length is 2.94 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.09 Å) Ni–In bond lengths. In is bonded in a distorted q6 geometry to eight La and three Ni atoms.