Ba2MgCeNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent O(2), and two equivalent O(3) atoms. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom.
Ba2MgCeNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. The Ba(1)-Mg(1) bond length is 3.06 Å. There is one shorter (2.62 Å) and two longer (3.07 Å) Ba(1)-O(1) bond lengths. There are a spread of Ba(1)-O(2) bond distances ranging from 2.81-3.23 Å. There are a spread of Ba(1)-O(3) bond distances ranging from 2.80-3.24 Å. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1), two equivalent O(2), and two equivalent O(3) atoms. Both Mg(1)-O(2) bond lengths are 2.10 Å. Both Mg(1)-O(3) bond lengths are 2.10 Å. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Both Ce(1)-O(1) bond lengths are 2.70 Å. Both Ce(1)-O(2) bond lengths are 2.31 Å. Both Ce(1)-O(3) bond lengths are 2.31 Å. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Both Nb(1)-O(1) bond lengths are 2.07 Å. Both Nb(1)-O(2) bond lengths are 2.15 Å. Both Nb(1)-O(3) bond lengths are 2.15 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Ce(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1), one Mg(1), one Ce(1), and one Nb(1) atom.