Materials Data on Tm12In2Fe3 by Materials Project

Abstract

Tm12Fe3In2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to two Fe and two equivalent In atoms. There are one shorter (2.89 Å) and one longer (2.90 Å) Tm–Fe bond lengths. There are one shorter (3.11 Å) and one longer (3.84 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent In atoms. Both Tm–Fe bond lengths are 2.84 Å. Both Tm–In bond lengths are 3.50 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to eight Tm and one Fe atom. The Fe–Fe bond length is 2.15 Å. In the second Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. In is bonded to twelve Tm atoms to form a mixture of distorted face and corner-sharing InTm12 cuboctahedra.