Materials Data on Ce(NiSn)2 by Materials Project

Abstract

CeNi2Sn2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Ni and eight Sn atoms. There are four shorter (3.27 Å) and four longer (3.42 Å) Ce–Ni bond lengths. There are four shorter (3.34 Å) and four longer (3.44 Å) Ce–Sn bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Ce and five Sn atoms. There are one shorter (2.49 Å) and four longer (2.56 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 equivalent Ce and four equivalent Ni atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Ce and five Ni atoms.