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.