PbGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Pb(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form PbTe6 octahedra that share corners with six equivalent Pb(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, and edges with eight equivalent Ge(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Ge(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GeTe6 octahedra that share corners with six equivalent Ge(1)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with eight equivalent Pb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Pb(1) and two equivalent Ge(1) atoms to form TeGe2Pb4 octahedra that share corners with six equivalent Te(1)Ge2Pb4 octahedra, edges with four equivalent Te(1)Ge2Pb4 octahedra, and edges with eight equivalent Te(2)Ge4Pb2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to two equivalent Pb(1) and four equivalent Ge(1) atoms to form TeGe4Pb2 octahedra that share corners with six equivalent Te(2)Ge4Pb2 octahedra, edges with four equivalent Te(2)Ge4Pb2 octahedra, and edges with eight equivalent Te(1)Ge2Pb4 octahedra. The corner-sharing octahedra are not tilted.
PbGeTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Pb(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form PbTe6 octahedra that share corners with six equivalent Pb(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, and edges with eight equivalent Ge(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Pb(1)-Te(2) bond lengths are 3.17 Å. All Pb(1)-Te(1) bond lengths are 3.17 Å. Ge(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GeTe6 octahedra that share corners with six equivalent Ge(1)Te6 octahedra, edges with four equivalent Ge(1)Te6 octahedra, and edges with eight equivalent Pb(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Ge(1)-Te(1) bond lengths are 3.17 Å. All Ge(1)-Te(2) bond lengths are 3.17 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to four equivalent Pb(1) and two equivalent Ge(1) atoms to form TeGe2Pb4 octahedra that share corners with six equivalent Te(1)Ge2Pb4 octahedra, edges with four equivalent Te(1)Ge2Pb4 octahedra, and edges with eight equivalent Te(2)Ge4Pb2 octahedra. The corner-sharing octahedra are not tilted. In the second Te site, Te(2) is bonded to two equivalent Pb(1) and four equivalent Ge(1) atoms to form TeGe4Pb2 octahedra that share corners with six equivalent Te(2)Ge4Pb2 octahedra, edges with four equivalent Te(2)Ge4Pb2 octahedra, and edges with eight equivalent Te(1)Ge2Pb4 octahedra. The corner-sharing octahedra are not tilted.