Materials Data on Dy4Ni12Sn25 by Materials Project

Abstract

Dy4Ni12Sn25 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ni and twelve Sn atoms. All Dy–Ni bond lengths are 3.27 Å. There are six shorter (3.33 Å) and six longer (3.63 Å) Dy–Sn bond lengths. Ni is bonded in a 8-coordinate geometry to two equivalent Dy and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Dy, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.33 Å. In the second Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Dy and three equivalent Ni atoms. In the third Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.