Cs6OCl4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to one O(1), one Cl(1), and four equivalent Cl(2) atoms to form a mixture of distorted face, corner, and edge-sharing CsCl5O octahedra. The corner-sharing octahedral tilt angles range from 0-64°. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms.
Cs6OCl4 crystallizes in the trigonal R-3c space group. Cs(1) is bonded to one O(1), one Cl(1), and four equivalent Cl(2) atoms to form a mixture of distorted face, corner, and edge-sharing CsCl5O octahedra. The corner-sharing octahedral tilt angles range from 0-64°. The Cs(1)-O(1) bond length is 2.86 Å. The Cs(1)-Cl(1) bond length is 3.44 Å. There are a spread of Cs(1)-Cl(2) bond distances ranging from 3.56-3.80 Å. O(1) is bonded in an octahedral geometry to six equivalent Cs(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 6-coordinate geometry to six equivalent Cs(1) atoms. In the second Cl site, Cl(2) is bonded in a 8-coordinate geometry to eight equivalent Cs(1) atoms.