Materials Data on TmMn2 by Materials Project

Abstract

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.