Materials Data on Tb4MgNi by Materials Project

Abstract

Tb4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tb atoms to form a mixture of face and corner-sharing MgTb9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Tb bond distances ranging from 3.28–3.52 Å. There are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Mg, ten Tb, and two equivalent Ni atoms. There are a spread of Tb–Tb bond distances ranging from 3.52–3.63 Å. Both Tb–Ni bond lengths are 3.52 Å. In the second Tb site, Tb is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Tb, and two equivalent Ni atoms. Both Tb–Ni bond lengths are 2.80 Å. In the third Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Tb, and three equivalent Ni atoms. All Tb–Ni bond lengths are 2.80 Å. Ni is bonded in a 6-coordinate geometry to nine Tb atoms.