Ag2BiSbTe4 is alpha Po-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form AgTe6 octahedra that share corners with two equivalent Bi(1)Te6 octahedra, corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Bi(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form AgTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Bi(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Bi(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form BiTe6 octahedra that share corners with two equivalent Ag(1)Te6 octahedra, corners with four equivalent Bi(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SbTe6 octahedra that share corners with two equivalent Ag(2)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with six equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, and edges with eight equivalent Te(2)Ag3BiSb2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to one Ag(1), two equivalent Ag(2), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with six equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with eight equivalent Te(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Ag2BiSbTe4 is alpha Po-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form AgTe6 octahedra that share corners with two equivalent Bi(1)Te6 octahedra, corners with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Bi(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Ag(1)-Te(2) bond lengths are 3.03 Å. All Ag(1)-Te(1) bond lengths are 3.10 Å. In the second Ag site, Ag(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form AgTe6 octahedra that share corners with two equivalent Sb(1)Te6 octahedra, corners with four equivalent Ag(2)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Bi(1)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ag(2)-Te(1) bond lengths are 3.08 Å. All Ag(2)-Te(2) bond lengths are 3.10 Å. Bi(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form BiTe6 octahedra that share corners with two equivalent Ag(1)Te6 octahedra, corners with four equivalent Bi(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Sb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Bi(1)-Te(2) bond lengths are 3.13 Å. All Bi(1)-Te(1) bond lengths are 3.10 Å. Sb(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form SbTe6 octahedra that share corners with two equivalent Ag(2)Te6 octahedra, corners with four equivalent Sb(1)Te6 octahedra, edges with four equivalent Ag(1)Te6 octahedra, edges with four equivalent Ag(2)Te6 octahedra, and edges with four equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Sb(1)-Te(1) bond lengths are 3.08 Å. All Sb(1)-Te(2) bond lengths are 3.10 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one Ag(2), two equivalent Ag(1), two equivalent Bi(1), and one Sb(1) atom to form TeAg3Bi2Sb octahedra that share corners with six equivalent Te(1)Ag3Bi2Sb octahedra, edges with four equivalent Te(1)Ag3Bi2Sb octahedra, and edges with eight equivalent Te(2)Ag3BiSb2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to one Ag(1), two equivalent Ag(2), one Bi(1), and two equivalent Sb(1) atoms to form TeAg3BiSb2 octahedra that share corners with six equivalent Te(2)Ag3BiSb2 octahedra, edges with four equivalent Te(2)Ag3BiSb2 octahedra, and edges with eight equivalent Te(1)Ag3Bi2Sb octahedra. The corner-sharing octahedral tilt angles range from 0-2°.