KICl2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(2), one Cl(4), two equivalent Cl(1), and two equivalent Cl(3) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to one Cl(1) and one Cl(4) atom. In the second I site, I(2) is bonded in a distorted linear geometry to one Cl(2) and one Cl(3) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one K(1), two equivalent K(2), and one I(1) atom to form corner-sharing ClK3I tetrahedra. In the second Cl site, Cl(2) is bonded to one K(2), two equivalent K(1), and one I(2) atom to form a mixture of corner and edge-sharing ClK3I tetrahedra. In the third Cl site, Cl(3) is bonded to one K(1), two equivalent K(2), and one I(2) atom to form a mixture of corner and edge-sharing ClK3I trigonal pyramids. In the fourth Cl site, Cl(4) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one I(1) atom.
KICl2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), two equivalent Cl(2), and two equivalent Cl(4) atoms. The K(1)-Cl(1) bond length is 3.20 Å. The K(1)-Cl(3) bond length is 3.26 Å. There is one shorter (3.26 Å) and one longer (3.29 Å) K(1)-Cl(2) bond length. There is one shorter (3.15 Å) and one longer (3.24 Å) K(1)-Cl(4) bond length. In the second K site, K(2) is bonded in a 6-coordinate geometry to one Cl(2), one Cl(4), two equivalent Cl(1), and two equivalent Cl(3) atoms. The K(2)-Cl(2) bond length is 3.23 Å. The K(2)-Cl(4) bond length is 3.17 Å. There is one shorter (3.18 Å) and one longer (3.24 Å) K(2)-Cl(1) bond length. There is one shorter (3.16 Å) and one longer (3.25 Å) K(2)-Cl(3) bond length. There are two inequivalent I sites. In the first I site, I(1) is bonded in a linear geometry to one Cl(1) and one Cl(4) atom. The I(1)-Cl(1) bond length is 2.57 Å. The I(1)-Cl(4) bond length is 2.57 Å. In the second I site, I(2) is bonded in a distorted linear geometry to one Cl(2) and one Cl(3) atom. The I(2)-Cl(2) bond length is 2.56 Å. The I(2)-Cl(3) bond length is 2.57 Å. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one K(1), two equivalent K(2), and one I(1) atom to form corner-sharing ClK3I tetrahedra. In the second Cl site, Cl(2) is bonded to one K(2), two equivalent K(1), and one I(2) atom to form a mixture of corner and edge-sharing ClK3I tetrahedra. In the third Cl site, Cl(3) is bonded to one K(1), two equivalent K(2), and one I(2) atom to form a mixture of corner and edge-sharing ClK3I trigonal pyramids. In the fourth Cl site, Cl(4) is bonded in a rectangular see-saw-like geometry to one K(2), two equivalent K(1), and one I(1) atom.