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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Er(MnSn)6 by Materials Project

ErMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to eight Sn atoms to form distorted edge-sharing ErSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Er–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 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er 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 Er, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErMnSn2 by Materials Project

ErMnSn2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.06–3.33 Å. In the second Er site, Er is bonded to seven Sn atoms to form a mixture of distorted edge and corner-sharing ErSn7 pentagonal bipyramids. There are a spread of Er–Sn bond distances ranging from 3.03–3.28 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 2.72–2.88 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 2.78–2.86 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Er and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to six Er and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Er and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Er and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Er, three Mn, and one Sn atom. The Sn–Sn bond length is 2.92 Å.

36 MATERIALS SCIENCE↗