BaNb3O6 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. Nb(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NbO6 pentagonal pyramids. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1) and three equivalent Nb(1) atoms.
BaNb3O6 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded in a hexagonal planar geometry to six equivalent O(1) atoms. All Ba(1)-O(1) bond lengths are 2.68 Å. Nb(1) is bonded to six equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing NbO6 pentagonal pyramids. There are a spread of Nb(1)-O(1) bond distances ranging from 2.10-2.25 Å. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1) and three equivalent Nb(1) atoms.