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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TmMn2 by Materials Project

TmMn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to four equivalent Tm and twelve Mn atoms. There are one shorter (3.04 Å) and three longer (3.21 Å) Tm–Tm bond lengths. There are a spread of Tm–Mn bond distances ranging from 2.91–3.10 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Tm and six equivalent Mn atoms to form a mixture of edge, face, and corner-sharing MnTm6Mn6 cuboctahedra. All Mn–Mn bond lengths are 2.53 Å. In the second Mn site, Mn is bonded to six equivalent Tm and six Mn atoms to form a mixture of edge, face, and corner-sharing MnTm6Mn6 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.68 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmMn12 by Materials Project

TmMn12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twenty Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.98–3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded to two equivalent Tm and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnTm2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.31–2.55 Å. In the second Mn site, Mn is bonded to two equivalent Tm and ten Mn atoms to form a mixture of distorted face, edge, and corner-sharing MnTm2Mn10 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.55–2.65 Å. In the third Mn site, Mn is bonded in a 1-coordinate geometry to one Tm and thirteen Mn atoms. There are one shorter (2.30 Å) and four longer (2.83 Å) Mn–Mn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm6Mn23 by Materials Project

Tm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Tm–Mn bond distances ranging from 2.91–3.02 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted q6 geometry to three equivalent Tm and nine Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.44–2.58 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.50 Å. In the third Mn site, Mn is bonded to four equivalent Tm and eight Mn atoms to form a mixture of face and corner-sharing MnTm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.60 Å. In the fourth Mn site, Mn is bonded in a 10-coordinate geometry to three equivalent Tm and ten Mn atoms. All Mn–Mn bond lengths are 2.89 Å.

36 MATERIALS SCIENCE↗