MgNd2CuO4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. Nd(1) is bonded in a distorted water-like geometry to two equivalent O(2) and four equivalent O(1) atoms. Cu(1) is bonded to four equivalent O(2) atoms to form corner-sharing CuO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Nd(1) atoms. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Cu(1) atoms to form corner-sharing ONd2Cu2 tetrahedra.
MgNd2CuO4 crystallizes in the tetragonal I-4m2 space group. Mg(1) is bonded to four equivalent O(1) atoms to form corner-sharing MgO4 tetrahedra. All Mg(1)-O(1) bond lengths are 2.09 Å. Nd(1) is bonded in a distorted water-like geometry to two equivalent O(2) and four equivalent O(1) atoms. Both Nd(1)-O(2) bond lengths are 2.20 Å. All Nd(1)-O(1) bond lengths are 2.84 Å. Cu(1) is bonded to four equivalent O(2) atoms to form corner-sharing CuO4 tetrahedra. All Cu(1)-O(2) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent Mg(1) and four equivalent Nd(1) atoms. In the second O site, O(2) is bonded to two equivalent Nd(1) and two equivalent Cu(1) atoms to form corner-sharing ONd2Cu2 tetrahedra.