Materials Data on YNi3Sn2 by Materials Project

Abstract

YNi3Sn2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to nine Ni and nine Sn atoms. There are six shorter (3.17 Å) and three longer (3.29 Å) Y–Ni bond lengths. There are six shorter (3.42 Å) and three longer (3.53 Å) Y–Sn bond lengths. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Ni and six equivalent Sn atoms. There are six shorter (3.02 Å) and six longer (3.47 Å) Y–Ni bond lengths. All Y–Sn bond lengths are 3.16 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to three Y, three Ni, and four Sn atoms. All Ni–Ni bond lengths are 2.70 Å. There are a spread of Ni–Sn bond distances ranging from 2.50–2.60 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Y, four equivalent Ni, and four Sn atoms. There are two shorter (2.58 Å) and two longer (2.66 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four Y and six Ni atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four equivalent Y and six Ni atoms.