Materials Data on CeCu4Sn by Materials Project

Abstract

CeCu4Sn crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to eleven Cu and three equivalent Sn atoms. There are a spread of Ce–Cu bond distances ranging from 2.78–3.92 Å. There are a spread of Ce–Sn bond distances ranging from 3.25–3.57 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 7-coordinate geometry to three equivalent Ce, six Cu, and one Sn atom. There are a spread of Cu–Cu bond distances ranging from 2.39–3.24 Å. The Cu–Sn bond length is 2.87 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to four equivalent Ce, three Cu, and three equivalent Sn atoms. There are one shorter (2.48 Å) and one longer (2.64 Å) Cu–Cu bond lengths. There are two shorter (2.75 Å) and one longer (2.77 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 8-coordinate geometry to two equivalent Ce, five Cu, and one Sn atom. There are one shorter (2.37 Å) and one longer (2.52 Å) Cu–Cu bond lengths. The Cu–Sn bond length is 2.72 Å. In the fourth Cu site, Cu is bonded in a 8-coordinate geometry to two equivalent Ce, four Cu, and two equivalent Sn atoms. There are one shorter (2.56 Å) and one longer (2.69 Å) Cu–Sn bond lengths. Sn is bonded in a 8-coordinate geometry to three equivalent Ce and seven Cu atoms.