K3OCl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. O(1) is bonded to one K(1), one K(4), two equivalent K(2), and two equivalent K(3) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 1-29°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(2) and four equivalent K(3) atoms. In the second Cl site, Cl(2) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent K(4), and four equivalent K(3) atoms.
K3OCl crystallizes in the orthorhombic Amm2 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. Both K(1)-O(1) bond lengths are 2.60 Å. Both K(1)-Cl(2) bond lengths are 3.24 Å. In the second K site, K(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(1) atoms. There is one shorter (2.59 Å) and one longer (2.60 Å) K(2)-O(1) bond length. Both K(2)-Cl(1) bond lengths are 3.24 Å. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. Both K(3)-O(1) bond lengths are 2.62 Å. There is one shorter (3.55 Å) and one longer (3.59 Å) K(3)-Cl(1) bond length. There is one shorter (3.53 Å) and one longer (3.61 Å) K(3)-Cl(2) bond length. In the fourth K site, K(4) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent Cl(2) atoms. Both K(4)-O(1) bond lengths are 2.59 Å. Both K(4)-Cl(2) bond lengths are 3.25 Å. O(1) is bonded to one K(1), one K(4), two equivalent K(2), and two equivalent K(3) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 1-29°. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted body-centered cubic geometry to four equivalent K(2) and four equivalent K(3) atoms. In the second Cl site, Cl(2) is bonded in a distorted body-centered cubic geometry to two equivalent K(1), two equivalent K(4), and four equivalent K(3) atoms.