KNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to six equivalent O(1) atoms to form distorted KO6 pentagonal pyramids that share corners with six equivalent Nd(1)O6 octahedra, edges with six equivalent Nd(1)O6 octahedra, and edges with six equivalent K(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 13°. Nd(1) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent K(1)O6 pentagonal pyramids, edges with six equivalent Nd(1)O6 octahedra, and edges with six equivalent K(1)O6 pentagonal pyramids. O(1) is bonded to three equivalent K(1) and three equivalent Nd(1) atoms to form a mixture of corner, edge, and face-sharing OK3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°.
KNdO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to six equivalent O(1) atoms to form distorted KO6 pentagonal pyramids that share corners with six equivalent Nd(1)O6 octahedra, edges with six equivalent Nd(1)O6 octahedra, and edges with six equivalent K(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 13°. All K(1)-O(1) bond lengths are 2.84 Å. Nd(1) is bonded to six equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent K(1)O6 pentagonal pyramids, edges with six equivalent Nd(1)O6 octahedra, and edges with six equivalent K(1)O6 pentagonal pyramids. All Nd(1)-O(1) bond lengths are 2.41 Å. O(1) is bonded to three equivalent K(1) and three equivalent Nd(1) atoms to form a mixture of corner, edge, and face-sharing OK3Nd3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°.