Materials Data on Pr2Sn5 by Materials Project

Abstract

Pr2Sn5 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to twelve Sn atoms to form a mixture of corner and face-sharing PrSn12 cuboctahedra. There are a spread of Pr–Sn bond distances ranging from 3.31–3.42 Å. In the second 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 3.29–3.60 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to four Pr and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.31 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent Pr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the third Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pr atoms. In the fourth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.33 Å. In the fifth Sn site, Sn is bonded in a distorted square co-planar geometry to four Pr and six Sn atoms. In the sixth Sn site, Sn is bonded in a distorted square co-planar geometry to four equivalent Pr atoms.