Materials Data on DyMnSn2 by Materials Project

Abstract

DyMnSn2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.10–3.36 Å. In the second Dy site, Dy is bonded to seven Sn atoms to form a mixture of distorted edge and corner-sharing DySn7 pentagonal bipyramids. There are a spread of Dy–Sn bond distances ranging from 3.06–3.31 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.90 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.81–2.88 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to six Dy and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Dy and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Dy and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Dy, three Mn, and one Sn atom. The Sn–Sn bond length is 2.92 Å.