Tm6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Tm(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1) and six equivalent Tm(2) atoms.
Tm6FeSb2 crystallizes in the hexagonal P-62m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded in a 4-coordinate geometry to two equivalent Fe(1) and two equivalent Sb(1) atoms. Both Tm(1)-Fe(1) bond lengths are 2.81 Å. Both Tm(1)-Sb(1) bond lengths are 3.15 Å. In the second Tm site, Tm(2) is bonded in a 5-coordinate geometry to one Fe(1) and four equivalent Sb(1) atoms. The Tm(2)-Fe(1) bond length is 3.19 Å. All Tm(2)-Sb(1) bond lengths are 3.22 Å. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Tm(2) and six equivalent Tm(1) atoms. Sb(1) is bonded in a 9-coordinate geometry to three equivalent Tm(1) and six equivalent Tm(2) atoms.