CsCuCl3 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. Cu(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted face-sharing CuCl6 octahedra. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent Cu(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms.
CsCuCl3 crystallizes in the monoclinic Cc space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Cl(2), three equivalent Cl(1), and three equivalent Cl(3) atoms. There is one shorter (3.73 Å) and one longer (3.74 Å) Cs(1)-Cl(2) bond length. There are a spread of Cs(1)-Cl(1) bond distances ranging from 3.62-3.67 Å. There are a spread of Cs(1)-Cl(3) bond distances ranging from 3.61-3.68 Å. Cu(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form distorted face-sharing CuCl6 octahedra. There is one shorter (2.30 Å) and one longer (2.94 Å) Cu(1)-Cl(1) bond length. There is one shorter (2.35 Å) and one longer (2.36 Å) Cu(1)-Cl(2) bond length. There is one shorter (2.30 Å) and one longer (2.93 Å) Cu(1)-Cl(3) bond length. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms. In the second Cl site, Cl(2) is bonded in a distorted L-shaped geometry to two equivalent Cs(1) and two equivalent Cu(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and two equivalent Cu(1) atoms.