KMgNiO6I is Ilmenite-derived structured and crystallizes in the trigonal P312 space group. K(1) is bonded to six equivalent O(1) atoms to form KO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. Mg(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ni(1) is bonded to six equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with six equivalent K(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. O(1) is bonded in a distorted see-saw-like geometry to one K(1), one Mg(1), one Ni(1), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent K(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°.
KMgNiO6I is Ilmenite-derived structured and crystallizes in the trigonal P312 space group. K(1) is bonded to six equivalent O(1) atoms to form KO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. All K(1)-O(1) bond lengths are 2.67 Å. Mg(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.16 Å. Ni(1) is bonded to six equivalent O(1) atoms to form distorted NiO6 octahedra that share corners with six equivalent K(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ni(1)-O(1) bond lengths are 2.17 Å. O(1) is bonded in a distorted see-saw-like geometry to one K(1), one Mg(1), one Ni(1), and one I(1) atom. The O(1)-I(1) bond length is 1.91 Å. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent K(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°.