Cs(BCl)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to three equivalent Cl(4) and six equivalent Cl(1) atoms. In the second Cs site, Cs(2) is bonded to three equivalent Cl(3), three equivalent Cl(4), and six equivalent Cl(2) atoms to form distorted edge-sharing CsCl12 cuboctahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Cl(1) atom. In the second B site, B(2) is bonded in a single-bond geometry to one Cl(3) atom. In the third B site, B(3) is bonded in a single-bond geometry to one Cl(4) atom. In the fourth B site, B(4) is bonded in a single-bond geometry to one Cl(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to two equivalent Cs(2) and one B(4) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Cs(2) and one B(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one B(3) atom.
Cs(BCl)6 crystallizes in the trigonal R-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to three equivalent Cl(4) and six equivalent Cl(1) atoms. All Cs(1)-Cl(4) bond lengths are 3.73 Å. There are three shorter (3.66 Å) and three longer (4.09 Å) Cs(1)-Cl(1) bond lengths. In the second Cs site, Cs(2) is bonded to three equivalent Cl(3), three equivalent Cl(4), and six equivalent Cl(2) atoms to form distorted edge-sharing CsCl12 cuboctahedra. All Cs(2)-Cl(3) bond lengths are 3.83 Å. All Cs(2)-Cl(4) bond lengths are 3.77 Å. There are three shorter (3.72 Å) and three longer (3.84 Å) Cs(2)-Cl(2) bond lengths. There are four inequivalent B sites. In the first B site, B(1) is bonded in a single-bond geometry to one Cl(1) atom. The B(1)-Cl(1) bond length is 1.80 Å. In the second B site, B(2) is bonded in a single-bond geometry to one Cl(3) atom. The B(2)-Cl(3) bond length is 1.79 Å. In the third B site, B(3) is bonded in a single-bond geometry to one Cl(4) atom. The B(3)-Cl(4) bond length is 1.80 Å. In the fourth B site, B(4) is bonded in a single-bond geometry to one Cl(2) atom. The B(4)-Cl(2) bond length is 1.80 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one B(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to two equivalent Cs(2) and one B(4) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Cs(2) and one B(2) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Cs(1), one Cs(2), and one B(3) atom.