Materials Data on Tb3Si2Ni by Materials Project

Abstract

Tb3NiSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to three equivalent Ni and five Si atoms. There are one shorter (2.92 Å) and two longer (3.00 Å) Tb–Ni bond lengths. There are a spread of Tb–Si bond distances ranging from 2.96–3.03 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to one Ni and five Si atoms. The Tb–Ni bond length is 2.84 Å. There are a spread of Tb–Si bond distances ranging from 2.98–3.18 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to two equivalent Ni and five Si atoms. Both Tb–Ni bond lengths are 2.83 Å. There are a spread of Tb–Si bond distances ranging from 2.95–3.61 Å. Ni is bonded in a 9-coordinate geometry to six Tb and three Si atoms. All Ni–Si bond lengths are 2.45 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Tb and one Ni atom.