KPbBi crystallizes in the orthorhombic Imm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 12-coordinate geometry to six equivalent Pb(1) and six equivalent Bi(1) atoms. In the second K site, K(2) is bonded in a 12-coordinate geometry to six equivalent Pb(1) and six equivalent Bi(1) atoms. Pb(1) is bonded to three equivalent K(1), three equivalent K(2), two equivalent Pb(1), and four equivalent Bi(1) atoms to form distorted PbK6Bi4Pb2 cuboctahedra that share corners with eight equivalent Bi(1)K6Bi2Pb4 cuboctahedra, corners with ten equivalent Pb(1)K6Bi4Pb2 cuboctahedra, edges with six equivalent Pb(1)K6Bi4Pb2 cuboctahedra, faces with six equivalent Pb(1)K6Bi4Pb2 cuboctahedra, and faces with twelve equivalent Bi(1)K6Bi2Pb4 cuboctahedra. Bi(1) is bonded to three equivalent K(1), three equivalent K(2), four equivalent Pb(1), and two equivalent Bi(1) atoms to form distorted BiK6Bi2Pb4 cuboctahedra that share corners with eight equivalent Pb(1)K6Bi4Pb2 cuboctahedra, corners with ten equivalent Bi(1)K6Bi2Pb4 cuboctahedra, edges with six equivalent Bi(1)K6Bi2Pb4 cuboctahedra, faces with six equivalent Bi(1)K6Bi2Pb4 cuboctahedra, and faces with twelve equivalent Pb(1)K6Bi4Pb2 cuboctahedra.
KPbBi crystallizes in the orthorhombic Imm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 12-coordinate geometry to six equivalent Pb(1) and six equivalent Bi(1) atoms. There are two shorter (3.95 Å) and four longer (4.01 Å) K(1)-Pb(1) bond lengths. There are four shorter (3.94 Å) and two longer (3.96 Å) K(1)-Bi(1) bond lengths. In the second K site, K(2) is bonded in a 12-coordinate geometry to six equivalent Pb(1) and six equivalent Bi(1) atoms. There are four shorter (3.98 Å) and two longer (4.10 Å) K(2)-Pb(1) bond lengths. There are four shorter (3.91 Å) and two longer (4.15 Å) K(2)-Bi(1) bond lengths. Pb(1) is bonded to three equivalent K(1), three equivalent K(2), two equivalent Pb(1), and four equivalent Bi(1) atoms to form distorted PbK6Bi4Pb2 cuboctahedra that share corners with eight equivalent Bi(1)K6Bi2Pb4 cuboctahedra, corners with ten equivalent Pb(1)K6Bi4Pb2 cuboctahedra, edges with six equivalent Pb(1)K6Bi4Pb2 cuboctahedra, faces with six equivalent Pb(1)K6Bi4Pb2 cuboctahedra, and faces with twelve equivalent Bi(1)K6Bi2Pb4 cuboctahedra. There is one shorter (3.21 Å) and one longer (3.42 Å) Pb(1)-Pb(1) bond length. There are two shorter (3.18 Å) and two longer (3.65 Å) Pb(1)-Bi(1) bond lengths. Bi(1) is bonded to three equivalent K(1), three equivalent K(2), four equivalent Pb(1), and two equivalent Bi(1) atoms to form distorted BiK6Bi2Pb4 cuboctahedra that share corners with eight equivalent Pb(1)K6Bi4Pb2 cuboctahedra, corners with ten equivalent Bi(1)K6Bi2Pb4 cuboctahedra, edges with six equivalent Bi(1)K6Bi2Pb4 cuboctahedra, faces with six equivalent Bi(1)K6Bi2Pb4 cuboctahedra, and faces with twelve equivalent Pb(1)K6Bi4Pb2 cuboctahedra. There is one shorter (3.29 Å) and one longer (3.55 Å) Bi(1)-Bi(1) bond length.