Materials Data on Pr2CuSn4 by Materials Project

Abstract

Pr2CuSn4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.28–3.42 Å. In the second Pr site, Pr is bonded in a 4-coordinate geometry to four equivalent Cu and ten Sn atoms. All Pr–Cu bond lengths are 3.51 Å. There are a spread of Pr–Sn bond distances ranging from 3.41–3.79 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 2.53–2.69 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to four Pr, two equivalent Cu, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.22 Å. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Pr, two equivalent Cu, and four equivalent Sn atoms. In the third Sn site, Sn is bonded in a 1-coordinate geometry to six Pr, one Cu, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.95 Å. In the fourth Sn site, Sn is bonded in a 4-coordinate geometry to six Pr and two equivalent Sn atoms.