Materials Data on Tb5(In2Ni)2 by Materials Project

Abstract

Tb5(NiIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.24 Å) and four longer (3.34 Å) Tb–In bond lengths. In the second Tb site, Tb is bonded in a 10-coordinate geometry to four equivalent Ni and six In atoms. There are two shorter (2.92 Å) and two longer (2.95 Å) Tb–Ni bond lengths. There are a spread of Tb–In bond distances ranging from 3.26–3.38 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to two equivalent Ni and six In atoms. Both Tb–Ni bond lengths are 2.77 Å. There are a spread of Tb–In bond distances ranging from 3.19–3.45 Å. Ni is bonded in a 6-coordinate geometry to six Tb and two In atoms. There are one shorter (2.85 Å) and one longer (2.94 Å) Ni–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to eight Tb and one Ni atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Tb and one Ni atom.