Materials Data on PrCuSn2 by Materials Project

Abstract

PrCuSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Cu and ten Sn atoms. All Pr–Cu bond lengths are 3.52 Å. There are a spread of Pr–Sn bond distances ranging from 3.46–3.58 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Pr and five Sn atoms. There are a spread of Cu–Sn bond distances ranging from 2.52–2.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to six equivalent Pr, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.80 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pr and four equivalent Cu atoms.