ScTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent Te(1) atoms to form ScTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Sc(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. Te(1) is bonded to three equivalent Sc(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing TeSc3Tl3 octahedra. The corner-sharing octahedra are not tilted.
ScTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Sc(1) is bonded to six equivalent Te(1) atoms to form ScTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Sc(1)-Te(1) bond lengths are 2.96 Å. Tl(1) is bonded to six equivalent Te(1) atoms to form distorted TlTe6 octahedra that share corners with six equivalent Sc(1)Te6 octahedra, edges with six equivalent Sc(1)Te6 octahedra, and edges with six equivalent Tl(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl(1)-Te(1) bond lengths are 3.44 Å. Te(1) is bonded to three equivalent Sc(1) and three equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing TeSc3Tl3 octahedra. The corner-sharing octahedra are not tilted.