AgPbBiS3 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AgS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, edges with five equivalent Pb(1)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Pb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Pb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Bi(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form BiS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Bi(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Pb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second S site, S(2) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third S site, S(3) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
AgPbBiS3 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Imm2 space group. Ag(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form AgS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Ag(1)S6 octahedra, edges with five equivalent Pb(1)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. Both Ag(1)-S(1) bond lengths are 2.83 Å. Both Ag(1)-S(2) bond lengths are 2.90 Å. Both Ag(1)-S(3) bond lengths are 2.91 Å. Pb(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form PbS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Pb(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Bi(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Pb(1)-S(1) bond lengths are 2.95 Å. Both Pb(1)-S(2) bond lengths are 3.00 Å. Both Pb(1)-S(3) bond lengths are 2.90 Å. Bi(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form BiS6 octahedra that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Pb(1)S6 octahedra, corners with two equivalent Bi(1)S6 octahedra, edges with two equivalent Bi(1)S6 octahedra, edges with five equivalent Ag(1)S6 octahedra, and edges with five equivalent Pb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. Both Bi(1)-S(1) bond lengths are 2.90 Å. Both Bi(1)-S(2) bond lengths are 2.81 Å. Both Bi(1)-S(3) bond lengths are 2.87 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the second S site, S(2) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third S site, S(3) is bonded to two equivalent Ag(1), two equivalent Pb(1), and two equivalent Bi(1) atoms to form a mixture of corner and edge-sharing SAg2Bi2Pb2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.