Materials Data on Tb2Mg3Ni2 by Materials Project

Abstract

Mg3Tb2Ni2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four equivalent Mg and one Ni atom. All Mg–Mg bond lengths are 3.17 Å. The Mg–Ni bond length is 2.81 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight equivalent Mg and two equivalent Tb atoms. Both Mg–Tb bond lengths are 3.72 Å. Tb is bonded in a 6-coordinate geometry to one Mg and six equivalent Ni atoms. There are four shorter (2.79 Å) and two longer (2.95 Å) Tb–Ni bond lengths. Ni is bonded in a 9-coordinate geometry to one Mg, six equivalent Tb, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.52 Å.