Ta3RhS6 is Ilmenite-like structured and crystallizes in the hexagonal P6_322 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. Rh(1) is bonded to six equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Ta(1)S6 pentagonal pyramids. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), two equivalent Ta(2), and one Rh(1) atom.
Ta3RhS6 is Ilmenite-like structured and crystallizes in the hexagonal P6_322 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to six equivalent S(1) atoms to form distorted TaS6 pentagonal pyramids that share corners with six equivalent Rh(1)S6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Ta(1)-S(1) bond lengths are 2.47 Å. In the second Ta site, Ta(2) is bonded in a 6-coordinate geometry to six equivalent S(1) atoms. There are three shorter (2.45 Å) and three longer (2.52 Å) Ta(2)-S(1) bond lengths. Rh(1) is bonded to six equivalent S(1) atoms to form RhS6 octahedra that share corners with six equivalent Ta(1)S6 pentagonal pyramids. All Rh(1)-S(1) bond lengths are 2.42 Å. S(1) is bonded in a distorted rectangular see-saw-like geometry to one Ta(1), two equivalent Ta(2), and one Rh(1) atom.