BaMgNdMn2O5 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Mg(1) is bonded in a distorted square co-planar geometry to one O(1), one O(4), and two equivalent O(5) atoms. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing MnO5 square pyramids. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Mn(2) atoms to form OBa2Nd2Mn2 octahedra that share corners with two equivalent O(3)Ba2Nd2Mn2 octahedra, corners with four equivalent O(4)Nd2MgMn2 trigonal bipyramids, and edges with two equivalent O(3)Ba2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted ONd2MgMn2 trigonal bipyramids that share corners with four equivalent O(3)Ba2Nd2Mn2 octahedra and corners with four equivalent O(4)Nd2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 74°. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(1) atom.
BaMgNdMn2O5 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Ba(1)-O(1) bond lengths are 2.63 Å. Both Ba(1)-O(3) bond lengths are 2.58 Å. Mg(1) is bonded in a distorted square co-planar geometry to one O(1), one O(4), and two equivalent O(5) atoms. The Mg(1)-O(1) bond length is 2.28 Å. The Mg(1)-O(4) bond length is 2.04 Å. Both Mg(1)-O(5) bond lengths are 1.94 Å. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Nd(1)-O(2) bond lengths are 2.28 Å. Both Nd(1)-O(3) bond lengths are 2.75 Å. Both Nd(1)-O(4) bond lengths are 2.75 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(5), two equivalent O(2), and two equivalent O(4) atoms to form distorted corner-sharing MnO5 square pyramids. The Mn(1)-O(5) bond length is 2.25 Å. Both Mn(1)-O(2) bond lengths are 2.54 Å. Both Mn(1)-O(4) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Mn(2)-O(1) bond lengths are 2.08 Å. Both Mn(2)-O(3) bond lengths are 2.54 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Mn(2) atoms to form OBa2Nd2Mn2 octahedra that share corners with two equivalent O(3)Ba2Nd2Mn2 octahedra, corners with four equivalent O(4)Nd2MgMn2 trigonal bipyramids, and edges with two equivalent O(3)Ba2Nd2Mn2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Nd(1), and two equivalent Mn(1) atoms to form distorted ONd2MgMn2 trigonal bipyramids that share corners with four equivalent O(3)Ba2Nd2Mn2 octahedra and corners with four equivalent O(4)Nd2MgMn2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 74°. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(1) atom.