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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ho(MnSn)6 by Materials Project

HoMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to eight Sn atoms to form distorted edge-sharing HoSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Ho–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 2.73–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Ho, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å. 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 12-coordinate geometry to three equivalent Ho and six equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoMnSn2 by Materials Project

HoMnSn2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Ho–Sn bond distances ranging from 3.08–3.34 Å. In the second Ho site, Ho is bonded to seven Sn atoms to form a mixture of distorted edge and corner-sharing HoSn7 pentagonal bipyramids. There are a spread of Ho–Sn bond distances ranging from 3.04–3.30 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 2.73–2.89 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 2.80–2.87 Å. There are five inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ho and two equivalent Mn atoms. In the second Sn site, Sn is bonded in a 2-coordinate geometry to six Ho and two equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Ho and four Mn atoms. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to five Ho and four Mn atoms. In the fifth Sn site, Sn is bonded in a 7-coordinate geometry to three Ho, three Mn, and one Sn atom. The Sn–Sn bond length is 2.92 Å.

36 MATERIALS SCIENCE↗