InPb4Te5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. In(1) is bonded to six equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent Pb(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Pb(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to three equivalent Te(1) and three equivalent Te(3) atoms to form PbTe6 octahedra that share corners with three equivalent In(1)Te6 octahedra, corners with three equivalent Pb(2)Te6 octahedra, edges with three equivalent In(1)Te6 octahedra, edges with three equivalent Pb(2)Te6 octahedra, and edges with six equivalent Pb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the second Pb site, Pb(2) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form a mixture of corner and edge-sharing PbTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent In(1) and three equivalent Pb(1) atoms to form TeIn3Pb3 octahedra that share corners with three equivalent Te(1)In3Pb3 octahedra, corners with three equivalent Te(3)Pb6 octahedra, edges with three equivalent Te(3)Pb6 octahedra, and edges with nine equivalent Te(1)In3Pb3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Te site, Te(2) is bonded to six equivalent Pb(2) atoms to form a mixture of corner and edge-sharing TePb6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te site, Te(3) is bonded to three equivalent Pb(1) and three equivalent Pb(2) atoms to form TePb6 octahedra that share corners with three equivalent Te(1)In3Pb3 octahedra, corners with three equivalent Te(2)Pb6 octahedra, edges with three equivalent Te(1)In3Pb3 octahedra, edges with three equivalent Te(2)Pb6 octahedra, and edges with six equivalent Te(3)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.
InPb4Te5 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. In(1) is bonded to six equivalent Te(1) atoms to form InTe6 octahedra that share corners with six equivalent Pb(1)Te6 octahedra, edges with six equivalent In(1)Te6 octahedra, and edges with six equivalent Pb(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. All In(1)-Te(1) bond lengths are 3.25 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to three equivalent Te(1) and three equivalent Te(3) atoms to form PbTe6 octahedra that share corners with three equivalent In(1)Te6 octahedra, corners with three equivalent Pb(2)Te6 octahedra, edges with three equivalent In(1)Te6 octahedra, edges with three equivalent Pb(2)Te6 octahedra, and edges with six equivalent Pb(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. All Pb(1)-Te(1) bond lengths are 3.21 Å. All Pb(1)-Te(3) bond lengths are 3.31 Å. In the second Pb site, Pb(2) is bonded to three equivalent Te(2) and three equivalent Te(3) atoms to form a mixture of corner and edge-sharing PbTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. All Pb(2)-Te(2) bond lengths are 3.26 Å. All Pb(2)-Te(3) bond lengths are 3.24 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent In(1) and three equivalent Pb(1) atoms to form TeIn3Pb3 octahedra that share corners with three equivalent Te(1)In3Pb3 octahedra, corners with three equivalent Te(3)Pb6 octahedra, edges with three equivalent Te(3)Pb6 octahedra, and edges with nine equivalent Te(1)In3Pb3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Te site, Te(2) is bonded to six equivalent Pb(2) atoms to form a mixture of corner and edge-sharing TePb6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the third Te site, Te(3) is bonded to three equivalent Pb(1) and three equivalent Pb(2) atoms to form TePb6 octahedra that share corners with three equivalent Te(1)In3Pb3 octahedra, corners with three equivalent Te(2)Pb6 octahedra, edges with three equivalent Te(1)In3Pb3 octahedra, edges with three equivalent Te(2)Pb6 octahedra, and edges with six equivalent Te(3)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°.