Materials Data on Tb3Ni2 by Materials Project

Abstract

Tb3Ni2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Tb3Ni2 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.03 Å. In the second Tb site, Tb is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Tb–Ni bond lengths. In the third Tb site, Tb is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.80 Å) and two longer (2.88 Å) Tb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two Ni atoms. There are one shorter (2.63 Å) and one longer (2.65 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 7-coordinate geometry to seven Tb and one Ni atom.