K3BiSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Se(1) atoms. Se(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 corner, edge, and face-sharing SeK6Bi pentagonal bipyramids.
K3BiSe3 crystallizes in the cubic P2_13 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are three shorter (3.28 Å) and three longer (3.46 Å) K(1)-Se(1) bond lengths. In the second K site, K(2) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are three shorter (3.51 Å) and three longer (3.52 Å) K(2)-Se(1) bond lengths. In the third K site, K(3) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are three shorter (3.28 Å) and three longer (3.47 Å) K(3)-Se(1) bond lengths. Bi(1) is bonded in a 3-coordinate geometry to three equivalent Se(1) atoms. All Bi(1)-Se(1) bond lengths are 2.68 Å. Se(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 corner, edge, and face-sharing SeK6Bi pentagonal bipyramids.