Materials Data on Pr3(MnSn)4 by Materials Project

Abstract

Pr3(MnSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form edge-sharing PrSn6 octahedra. There are four shorter (3.23 Å) and two longer (3.29 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Mn and six Sn atoms. There are two shorter (3.35 Å) and four longer (3.36 Å) Pr–Mn bond lengths. There are two shorter (3.33 Å) and four longer (3.37 Å) Pr–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to three equivalent Pr and four Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.96 Å.