K3Mo2Br9 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent Br(2) and six equivalent Br(1) atoms. Mo(1) is bonded to three equivalent Br(1) and three equivalent Br(2) atoms to form face-sharing MoBr6 octahedra. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to one K(2), two equivalent K(1), and one Mo(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Mo(1) atoms.
K3Mo2Br9 crystallizes in the hexagonal P6_3/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent Br(1) atoms. All K(1)-Br(1) bond lengths are 3.41 Å. In the second K site, K(2) is bonded in a 9-coordinate geometry to three equivalent Br(2) and six equivalent Br(1) atoms. All K(2)-Br(2) bond lengths are 3.35 Å. All K(2)-Br(1) bond lengths are 3.68 Å. Mo(1) is bonded to three equivalent Br(1) and three equivalent Br(2) atoms to form face-sharing MoBr6 octahedra. All Mo(1)-Br(1) bond lengths are 2.57 Å. All Mo(1)-Br(2) bond lengths are 2.62 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted see-saw-like geometry to one K(2), two equivalent K(1), and one Mo(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Mo(1) atoms.