K3BiTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Te(1) atoms to form distorted corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Bi(1) atom to form a mixture of distorted face, corner, and edge-sharing TeK6Bi pentagonal bipyramids.
K3BiTe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to six equivalent Te(1) atoms to form distorted corner-sharing KTe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three shorter (3.67 Å) and three longer (3.73 Å) K(1)-Te(1) bond lengths. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. There are three shorter (3.49 Å) and three longer (3.68 Å) K(2)-Te(1) bond lengths. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Te(1) atoms. There are three shorter (3.52 Å) and three longer (3.67 Å) K(3)-Te(1) bond lengths. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Te(1) atoms. All Bi(1)-Te(1) bond lengths are 2.90 Å. Te(1) is bonded to two equivalent K(1), two equivalent K(2), two equivalent K(3), and one Bi(1) atom to form a mixture of distorted face, corner, and edge-sharing TeK6Bi pentagonal bipyramids.