Cs3B12H12Cl crystallizes in the trigonal R-3m space group. Cs(1) is bonded to four equivalent H(2), six equivalent H(1), and two equivalent Cl(1) atoms to form a mixture of distorted corner and face-sharing CsH10Cl2 cuboctahedra. 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 three equivalent Cs(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(2) atom. Cl(1) is bonded to six equivalent Cs(1) atoms to form corner-sharing ClCs6 octahedra. The corner-sharing octahedra are not tilted.
Cs3B12H12Cl crystallizes in the trigonal R-3m space group. Cs(1) is bonded to four equivalent H(2), six equivalent H(1), and two equivalent Cl(1) atoms to form a mixture of distorted corner and face-sharing CsH10Cl2 cuboctahedra. All Cs(1)-H(2) bond lengths are 3.14 Å. There are four shorter (3.19 Å) and two longer (3.45 Å) Cs(1)-H(1) bond lengths. Both Cs(1)-Cl(1) bond lengths are 3.64 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 1.21 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 1.20 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one B(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(2) atom. Cl(1) is bonded to six equivalent Cs(1) atoms to form corner-sharing ClCs6 octahedra. The corner-sharing octahedra are not tilted.