Materials Data on TmMn6InSn5 by Materials Project

Abstract

TmMn6Sn5In crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded to eight Sn atoms to form edge-sharing TmSn8 hexagonal bipyramids. There are two shorter (3.01 Å) and six longer (3.12 Å) Tm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to one In and five Sn atoms. The Mn–In bond length is 2.78 Å. There are a spread of Mn–Sn bond distances ranging from 2.71–2.82 Å. In is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Sn atoms. All In–Sn bond lengths are 3.12 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 7-coordinate geometry to one Tm and six equivalent Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent In atoms.