Materials Data on Tb3SmNi4 by Materials Project

Abstract

Tb3SmNi4 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. 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 2.85–2.93 Å. In the second 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 2.84–2.97 Å. In the third 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 2.86–2.93 Å. Sm is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Sm–Ni bond distances ranging from 2.88–2.95 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Tb, one Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to five Tb, two equivalent Sm, and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.61 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to three Tb, four equivalent Sm, and two equivalent Ni atoms. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms.