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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Tm(MnSn)6 by Materials Project

TmMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to eight Sn atoms to form distorted edge-sharing TmSn8 hexagonal bipyramids. There are two shorter (2.99 Å) and six longer (3.14 Å) Tm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to one Tm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.01 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm4Mn4Sn7 by Materials Project

Tm4Mn4Sn7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to seven Sn atoms to form a mixture of distorted edge, corner, and face-sharing TmSn7 pentagonal bipyramids. There are a spread of Tm–Sn bond distances ranging from 3.05–3.24 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.04–3.33 Å. Mn is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.83 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to five Tm and four equivalent Mn atoms. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four Tm and four equivalent Mn atoms. In the third Sn site, Sn is bonded in a 10-coordinate geometry to eight Tm and two equivalent Sn atoms. There are one shorter (2.90 Å) and one longer (2.91 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to one Tm, four equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.90 Å.

36 MATERIALS SCIENCE↗