Materials Data on Dy3Si2Ni by Materials Project

Abstract

Dy3NiSi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy 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) Dy–Ni bond lengths. There are a spread of Dy–Si bond distances ranging from 2.96–3.03 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to one Ni and five Si atoms. The Dy–Ni bond length is 2.84 Å. There are a spread of Dy–Si bond distances ranging from 2.98–3.17 Å. In the third Dy site, Dy is bonded in a 6-coordinate geometry to two equivalent Ni and five Si atoms. Both Dy–Ni bond lengths are 2.82 Å. There are a spread of Dy–Si bond distances ranging from 2.95–3.61 Å. Ni is bonded in a 9-coordinate geometry to six Dy and three Si atoms. There are one shorter (2.44 Å) and two longer (2.45 Å) Ni–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Dy and two equivalent Ni atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Dy and one Ni atom.