K3OCl is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form OK6 octahedra that share corners with six equivalent O(1)K6 octahedra and faces with eight equivalent Cl(1)K12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Cl(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent K(3) atoms to form distorted ClK12 cuboctahedra that share corners with twelve equivalent Cl(1)K12 cuboctahedra, faces with six equivalent Cl(1)K12 cuboctahedra, and faces with eight equivalent O(1)K6 octahedra.
K3OCl is (Cubic) Perovskite structured and crystallizes in the monoclinic Pm space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. Both K(1)-O(1) bond lengths are 2.58 Å. There are two shorter (3.48 Å) and two longer (3.79 Å) K(1)-Cl(1) bond lengths. In the second K site, K(2) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. Both K(2)-O(1) bond lengths are 2.57 Å. There are a spread of K(2)-Cl(1) bond distances ranging from 3.52-3.79 Å. In the third K site, K(3) is bonded in a distorted linear geometry to two equivalent O(1) and four equivalent Cl(1) atoms. There is one shorter (2.57 Å) and one longer (2.59 Å) K(3)-O(1) bond length. There are two shorter (3.54 Å) and two longer (3.74 Å) K(3)-Cl(1) bond lengths. O(1) is bonded to two equivalent K(1), two equivalent K(2), and two equivalent K(3) atoms to form OK6 octahedra that share corners with six equivalent O(1)K6 octahedra and faces with eight equivalent Cl(1)K12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-8°. Cl(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent K(3) atoms to form distorted ClK12 cuboctahedra that share corners with twelve equivalent Cl(1)K12 cuboctahedra, faces with six equivalent Cl(1)K12 cuboctahedra, and faces with eight equivalent O(1)K6 octahedra.