NbBO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Nb(1) is bonded to eight equivalent O(1) atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra, edges with four equivalent Nb(1)O8 hexagonal bipyramids, and edges with two equivalent B(1)O4 tetrahedra. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Nb(1)O8 hexagonal bipyramids and edges with two equivalent Nb(1)O8 hexagonal bipyramids. O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one B(1) atom.
NbBO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. Nb(1) is bonded to eight equivalent O(1) atoms to form distorted NbO8 hexagonal bipyramids that share corners with four equivalent B(1)O4 tetrahedra, edges with four equivalent Nb(1)O8 hexagonal bipyramids, and edges with two equivalent B(1)O4 tetrahedra. There are four shorter (2.07 Å) and four longer (2.11 Å) Nb(1)-O(1) bond lengths. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent Nb(1)O8 hexagonal bipyramids and edges with two equivalent Nb(1)O8 hexagonal bipyramids. All B(1)-O(1) bond lengths are 1.47 Å. O(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one B(1) atom.