K3OCl is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two 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(1) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent Cl(1) atoms. O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. Cl(1) is bonded in a 8-coordinate geometry to two equivalent K(1) and six equivalent K(2) atoms.
K3OCl is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two 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(1) atoms. Both K(1)-O(1) bond lengths are 2.61 Å. There is one shorter (3.19 Å) and one longer (3.20 Å) K(1)-Cl(1) bond length. In the second K site, K(2) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent Cl(1) atoms. There is one shorter (2.62 Å) and one longer (2.63 Å) K(2)-O(1) bond length. There are a spread of K(2)-Cl(1) bond distances ranging from 3.18-3.52 Å. O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 23-26°. Cl(1) is bonded in a 8-coordinate geometry to two equivalent K(1) and six equivalent K(2) atoms.