K2HfO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second K site, K(2) is bonded to six equivalent O(1) atoms to form distorted KO6 octahedra that share edges with six equivalent Hf(1)O6 octahedra. Hf(1) is bonded to six equivalent O(1) atoms to form distorted HfO6 octahedra that share edges with three equivalent K(2)O6 octahedra and edges with three equivalent Hf(1)O6 octahedra. O(1) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), and two equivalent Hf(1) atoms.
K2HfO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two shorter (2.55 Å) and four longer (2.86 Å) K(1)-O(1) bond lengths. In the second K site, K(2) is bonded to six equivalent O(1) atoms to form distorted KO6 octahedra that share edges with six equivalent Hf(1)O6 octahedra. All K(2)-O(1) bond lengths are 2.60 Å. Hf(1) is bonded to six equivalent O(1) atoms to form distorted HfO6 octahedra that share edges with three equivalent K(2)O6 octahedra and edges with three equivalent Hf(1)O6 octahedra. All Hf(1)-O(1) bond lengths are 2.12 Å. O(1) is bonded in a 6-coordinate geometry to one K(2), three equivalent K(1), and two equivalent Hf(1) atoms.