Ba2MgNdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) 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 17-18°. 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 17-18°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Nd(1), and one Nb(1) atom.
Ba2MgNdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. The Ba(1)-Mg(1) bond length is 2.92 Å. There is one shorter (2.93 Å) and two longer (3.10 Å) Ba(1)-O(2) bond lengths. There are a spread of Ba(1)-O(1) bond distances ranging from 2.79-3.34 Å. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.07 Å. 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 17-18°. Both Nd(1)-O(2) bond lengths are 2.62 Å. All Nd(1)-O(1) bond lengths are 2.31 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 17-18°. Both Nb(1)-O(2) bond lengths are 2.07 Å. All Nb(1)-O(1) bond lengths are 2.15 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Nd(1), and one Nb(1) atom.