KMgNiO6I is Ilmenite-derived structured and crystallizes in the trigonal P312 space group. K(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. O(1) is bonded to one K(1), one Mg(1), one Ni(1), and one I(1) atom to form a mixture of distorted corner and edge-sharing OKMgNiI trigonal pyramids. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra.
KMgNiO6I is Ilmenite-derived structured and crystallizes in the trigonal P312 space group. K(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. All K(1)-O(1) bond lengths are 2.86 Å. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share edges with three equivalent Ni(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. All Mg(1)-O(1) bond lengths are 2.10 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. All Ni(1)-O(1) bond lengths are 2.10 Å. O(1) is bonded to one K(1), one Mg(1), one Ni(1), and one I(1) atom to form a mixture of distorted corner and edge-sharing OKMgNiI trigonal pyramids. The O(1)-I(1) bond length is 1.92 Å. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share edges with three equivalent Mg(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra.