PbSn4Te5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. Pb(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form PbTe6 octahedra that share corners with two equivalent Sn(2)Te6 octahedra, corners with four equivalent Pb(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, and edges with eight equivalent Sn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Te(2), one Te(3), and four equivalent Te(1) atoms to form SnTe6 octahedra that share  a cornercorner with one Sn(2)Te6 octahedra, corners with five equivalent Sn(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, edges with four equivalent Sn(1)Te6 octahedra, and edges with four equivalent Sn(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sn site, Sn(2) is bonded to one Te(1) and five equivalent Te(3) atoms to form SnTe6 octahedra that share  a cornercorner with one Pb(1)Te6 octahedra,  a cornercorner with one Sn(1)Te6 octahedra, corners with four equivalent Sn(2)Te6 octahedra, edges with four equivalent Sn(1)Te6 octahedra, and edges with eight equivalent Sn(2)Te6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Pb(1), one Sn(2), and four equivalent Sn(1) atoms to form TeSn5Pb octahedra that share  a cornercorner with one Te(3)Sn6 octahedra, corners with five equivalent Te(1)Sn5Pb octahedra, edges with four equivalent Te(2)Sn2Pb4 octahedra, edges with four equivalent Te(1)Sn5Pb octahedra, and edges with four equivalent Te(3)Sn6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to four equivalent Pb(1) and two equivalent Sn(1) atoms to form TeSn2Pb4 octahedra that share corners with two equivalent Te(3)Sn6 octahedra, corners with four equivalent Te(2)Sn2Pb4 octahedra, edges with four equivalent Te(2)Sn2Pb4 octahedra, and edges with eight equivalent Te(1)Sn5Pb octahedra. The corner-sharing octahedra are not tilted. In the third Te site, Te(3) is bonded to one Sn(1) and five equivalent Sn(2) atoms to form TeSn6 octahedra that share  a cornercorner with one Te(2)Sn2Pb4 octahedra,  a cornercorner with one Te(1)Sn5Pb octahedra, corners with four equivalent Te(3)Sn6 octahedra, edges with four equivalent Te(1)Sn5Pb octahedra, and edges with eight equivalent Te(3)Sn6 octahedra. The corner-sharing octahedra are not tilted.
PbSn4Te5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. Pb(1) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form PbTe6 octahedra that share corners with two equivalent Sn(2)Te6 octahedra, corners with four equivalent Pb(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, and edges with eight equivalent Sn(1)Te6 octahedra. The corner-sharing octahedra are not tilted. Both Pb(1)-Te(1) bond lengths are 3.28 Å. All Pb(1)-Te(2) bond lengths are 3.20 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Te(2), one Te(3), and four equivalent Te(1) atoms to form SnTe6 octahedra that share  a cornercorner with one Sn(2)Te6 octahedra, corners with five equivalent Sn(1)Te6 octahedra, edges with four equivalent Pb(1)Te6 octahedra, edges with four equivalent Sn(1)Te6 octahedra, and edges with four equivalent Sn(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Sn(1)-Te(2) bond length is 3.27 Å. The Sn(1)-Te(3) bond length is 3.26 Å. All Sn(1)-Te(1) bond lengths are 3.20 Å. In the second Sn site, Sn(2) is bonded to one Te(1) and five equivalent Te(3) atoms to form SnTe6 octahedra that share  a cornercorner with one Pb(1)Te6 octahedra,  a cornercorner with one Sn(1)Te6 octahedra, corners with four equivalent Sn(2)Te6 octahedra, edges with four equivalent Sn(1)Te6 octahedra, and edges with eight equivalent Sn(2)Te6 octahedra. The corner-sharing octahedra are not tilted. The Sn(2)-Te(1) bond length is 3.25 Å. There are four shorter (3.20 Å) and one longer (3.27 Å) Sn(2)-Te(3) bond length. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to one Pb(1), one Sn(2), and four equivalent Sn(1) atoms to form TeSn5Pb octahedra that share  a cornercorner with one Te(3)Sn6 octahedra, corners with five equivalent Te(1)Sn5Pb octahedra, edges with four equivalent Te(2)Sn2Pb4 octahedra, edges with four equivalent Te(1)Sn5Pb octahedra, and edges with four equivalent Te(3)Sn6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Te site, Te(2) is bonded to four equivalent Pb(1) and two equivalent Sn(1) atoms to form TeSn2Pb4 octahedra that share corners with two equivalent Te(3)Sn6 octahedra, corners with four equivalent Te(2)Sn2Pb4 octahedra, edges with four equivalent Te(2)Sn2Pb4 octahedra, and edges with eight equivalent Te(1)Sn5Pb octahedra. The corner-sharing octahedra are not tilted. In the third Te site, Te(3) is bonded to one Sn(1) and five equivalent Sn(2) atoms to form TeSn6 octahedra that share  a cornercorner with one Te(2)Sn2Pb4 octahedra,  a cornercorner with one Te(1)Sn5Pb octahedra, corners with four equivalent Te(3)Sn6 octahedra, edges with four equivalent Te(1)Sn5Pb octahedra, and edges with eight equivalent Te(3)Sn6 octahedra. The corner-sharing octahedra are not tilted.