NdMn5(CuO6)2 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form NdO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Mn(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONdMn2Cu tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), one Mn(2), and two equivalent Mn(1) atoms.
NdMn5(CuO6)2 crystallizes in the orthorhombic Immm space group. Nd(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form NdO12 cuboctahedra that share faces with eight equivalent Mn(1)O6 octahedra. All Nd(1)-O(1) bond lengths are 2.69 Å. All Nd(1)-O(2) bond lengths are 2.59 Å. All Nd(1)-O(3) bond lengths are 2.63 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Nd(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-43°. Both Mn(1)-O(1) bond lengths are 2.03 Å. Both Mn(1)-O(2) bond lengths are 2.02 Å. Both Mn(1)-O(3) bond lengths are 1.98 Å. In the second Mn site, Mn(2) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. All Mn(2)-O(3) bond lengths are 1.98 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Cu(1)-O(1) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Nd(1), two equivalent Mn(1), and one Cu(1) atom. In the second O site, O(2) is bonded to one Nd(1), two equivalent Mn(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing ONdMn2Cu tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Nd(1), one Mn(2), and two equivalent Mn(1) atoms.