Materials Data on TbMn3 by Materials Project

Abstract

TbMn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded to twelve Mn atoms to form a mixture of face and corner-sharing TbMn12 cuboctahedra. All Tb–Mn bond lengths are 2.98 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to four equivalent Tb and eight Mn atoms. There are a spread of Mn–Mn bond distances ranging from 2.66–3.29 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to four equivalent Tb and eight Mn atoms. All Mn–Mn bond lengths are 2.76 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to four equivalent Tb and eight Mn atoms. There are one shorter (2.66 Å) and one longer (3.29 Å) Mn–Mn bond lengths.