Materials Data on TmMnSn2 by Materials Project

Abstract

TmMnSn2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.06–3.32 Å. In the second Tm site, Tm is bonded to seven Sn atoms to form a mixture of distorted corner and edge-sharing TmSn7 pentagonal bipyramids. There are a spread of Tm–Sn bond distances ranging from 3.02–3.27 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 2.73–2.87 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 2.79–2.85 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Tm and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Tm and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Tm and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Tm and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Tm, three Mn, and one Sn atom. The Sn–Sn bond length is 2.93 Å.