Ba2NdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Nd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Nd(1), and one Nb(1) atom.
Ba2NdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. The Ba(1)-O(2) bond length is 2.73 Å. There are two shorter (2.83 Å) and two longer (2.86 Å) Ba(1)-O(1) bond lengths. Nd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Both Nd(1)-O(2) bond lengths are 2.36 Å. All Nd(1)-O(1) bond lengths are 2.36 Å. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-21°. Both Nb(1)-O(2) bond lengths are 2.04 Å. All Nb(1)-O(1) bond lengths are 2.04 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Nd(1), and one Nb(1) atom.