HfZrRhCoSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded in a body-centered cubic geometry to three equivalent Rh(1), one Co(1), one Sb(2), and three equivalent Sb(1) atoms. Zr(1) is bonded in a body-centered cubic geometry to one Rh(1), three equivalent Co(1), one Sb(1), and three equivalent Sb(2) atoms. Rh(1) is bonded to three equivalent Hf(1) and one Zr(1) atom to form distorted RhHf3Zr tetrahedra that share corners with four equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Co(1)HfZr3 tetrahedra, edges with three equivalent Sb(1)Hf3Zr tetrahedra, and edges with three equivalent Sb(2)HfZr3 tetrahedra. Co(1) is bonded to one Hf(1) and three equivalent Zr(1) atoms to form distorted CoHfZr3 tetrahedra that share corners with four equivalent Sb(2)HfZr3 tetrahedra, corners with six equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Co(1)HfZr3 tetrahedra, edges with three equivalent Sb(1)Hf3Zr tetrahedra, and edges with three equivalent Sb(2)HfZr3 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Hf(1) and one Zr(1) atom to form distorted SbHf3Zr tetrahedra that share corners with four equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Sb(2)HfZr3 tetrahedra, edges with three equivalent Rh(1)Hf3Zr tetrahedra, and edges with three equivalent Co(1)HfZr3 tetrahedra. In the second Sb site, Sb(2) is bonded to one Hf(1) and three equivalent Zr(1) atoms to form distorted SbHfZr3 tetrahedra that share corners with four equivalent Co(1)HfZr3 tetrahedra, corners with six equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Sb(2)HfZr3 tetrahedra, edges with three equivalent Rh(1)Hf3Zr tetrahedra, and edges with three equivalent Co(1)HfZr3 tetrahedra.
HfZrRhCoSb2 is half-Heusler-derived structured and crystallizes in the trigonal R3m space group. Hf(1) is bonded in a body-centered cubic geometry to three equivalent Rh(1), one Co(1), one Sb(2), and three equivalent Sb(1) atoms. All Hf(1)-Rh(1) bond lengths are 2.80 Å. The Hf(1)-Co(1) bond length is 2.79 Å. The Hf(1)-Sb(2) bond length is 2.82 Å. All Hf(1)-Sb(1) bond lengths are 2.80 Å. Zr(1) is bonded in a body-centered cubic geometry to one Rh(1), three equivalent Co(1), one Sb(1), and three equivalent Sb(2) atoms. The Zr(1)-Rh(1) bond length is 2.83 Å. All Zr(1)-Co(1) bond lengths are 2.80 Å. The Zr(1)-Sb(1) bond length is 2.80 Å. All Zr(1)-Sb(2) bond lengths are 2.81 Å. Rh(1) is bonded to three equivalent Hf(1) and one Zr(1) atom to form distorted RhHf3Zr tetrahedra that share corners with four equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Co(1)HfZr3 tetrahedra, edges with three equivalent Sb(1)Hf3Zr tetrahedra, and edges with three equivalent Sb(2)HfZr3 tetrahedra. Co(1) is bonded to one Hf(1) and three equivalent Zr(1) atoms to form distorted CoHfZr3 tetrahedra that share corners with four equivalent Sb(2)HfZr3 tetrahedra, corners with six equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Co(1)HfZr3 tetrahedra, edges with three equivalent Sb(1)Hf3Zr tetrahedra, and edges with three equivalent Sb(2)HfZr3 tetrahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to three equivalent Hf(1) and one Zr(1) atom to form distorted SbHf3Zr tetrahedra that share corners with four equivalent Rh(1)Hf3Zr tetrahedra, corners with six equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Sb(2)HfZr3 tetrahedra, edges with three equivalent Rh(1)Hf3Zr tetrahedra, and edges with three equivalent Co(1)HfZr3 tetrahedra. In the second Sb site, Sb(2) is bonded to one Hf(1) and three equivalent Zr(1) atoms to form distorted SbHfZr3 tetrahedra that share corners with four equivalent Co(1)HfZr3 tetrahedra, corners with six equivalent Sb(1)Hf3Zr tetrahedra, corners with six equivalent Sb(2)HfZr3 tetrahedra, edges with three equivalent Rh(1)Hf3Zr tetrahedra, and edges with three equivalent Co(1)HfZr3 tetrahedra.