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Materials Data on Lu(MnSn)6 by Materials Project

LuMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to eight Sn atoms to form distorted edge-sharing LuSn8 hexagonal bipyramids. There are two shorter (2.98 Å) and six longer (3.14 Å) Lu–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 12-coordinate geometry to three equivalent Lu and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Lu, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.03 Å.

36 MATERIALS SCIENCE↗

Materials Data on LuMnSn2 by Materials Project

LuMnSn2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Lu–Sn bond distances ranging from 3.04–3.31 Å. In the second Lu site, Lu is bonded to seven Sn atoms to form a mixture of distorted corner and edge-sharing LuSn7 pentagonal bipyramids. There are a spread of Lu–Sn bond distances ranging from 3.02–3.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.71–2.87 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 2.76–2.85 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Lu and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to six Lu and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Lu and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Lu and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Lu, three Mn, and one Sn atom. The Sn–Sn bond length is 2.93 Å.

36 MATERIALS SCIENCE↗