K3B12H12Br crystallizes in the trigonal R-3m space group. K(1) is bonded in a 12-coordinate geometry to four equivalent H(1), six equivalent H(2), and two equivalent Br(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent K(1) and one B(2) atom. Br(1) is bonded to six equivalent K(1) atoms to form corner-sharing BrK6 octahedra. The corner-sharing octahedra are not tilted.
K3B12H12Br crystallizes in the trigonal R-3m space group. K(1) is bonded in a 12-coordinate geometry to four equivalent H(1), six equivalent H(2), and two equivalent Br(1) atoms. All K(1)-H(1) bond lengths are 2.92 Å. There are four shorter (3.05 Å) and two longer (3.14 Å) K(1)-H(2) bond lengths. Both K(1)-Br(1) bond lengths are 3.48 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one H(1) atom. The B(1)-H(1) bond length is 1.20 Å. In the second B site, B(2) is bonded in a single-bond geometry to one H(2) atom. The B(2)-H(2) bond length is 1.21 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to two equivalent K(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to three equivalent K(1) and one B(2) atom. Br(1) is bonded to six equivalent K(1) atoms to form corner-sharing BrK6 octahedra. The corner-sharing octahedra are not tilted.