Ba2MgNdBiO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Nd(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. Bi(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one Nd(1), and one Bi(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 Bi(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Mg(1), one Nd(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2NdMgBi trigonal bipyramids. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Nd(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2NdMgBi trigonal bipyramids.
Ba2MgNdBiO6 crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(3), and two equivalent O(4) atoms. The Ba(1)-O(2) bond length is 2.62 Å. Both Ba(1)-O(3) bond lengths are 2.80 Å. Both Ba(1)-O(4) bond lengths are 2.84 Å. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. The Ba(2)-O(1) bond length is 2.63 Å. Both Ba(2)-O(3) bond lengths are 2.84 Å. Both Ba(2)-O(4) bond lengths are 2.80 Å. Mg(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Mg(1)-O(3) bond lengths are 2.07 Å. Both Mg(1)-O(4) bond lengths are 2.07 Å. Nd(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NdO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. The Nd(1)-O(1) bond length is 2.62 Å. The Nd(1)-O(2) bond length is 2.60 Å. Both Nd(1)-O(3) bond lengths are 2.33 Å. Both Nd(1)-O(4) bond lengths are 2.33 Å. Bi(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-37°. The Bi(1)-O(1) bond length is 2.51 Å. The Bi(1)-O(2) bond length is 2.53 Å. Both Bi(1)-O(3) bond lengths are 2.36 Å. Both Bi(1)-O(4) bond lengths are 2.36 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one Nd(1), and one Bi(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 Bi(1) atom. In the third O site, O(3) is bonded to one Ba(1), one Ba(2), one Mg(1), one Nd(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2NdMgBi trigonal bipyramids. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), one Mg(1), one Nd(1), and one Bi(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa2NdMgBi trigonal bipyramids.