Nd5Cu5O13 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(2)O12 cuboctahedra and faces with eight equivalent Cu(1)O5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. In the second Cu site, Cu(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(1) and two equivalent Cu(2) atoms to form corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.
Nd5Cu5O13 crystallizes in the tetragonal P4/m space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. The Nd(1)-O(4) bond length is 2.58 Å. Both Nd(1)-O(1) bond lengths are 2.52 Å. There is one shorter (2.49 Å) and one longer (2.57 Å) Nd(1)-O(3) bond length. There are two shorter (2.54 Å) and two longer (2.78 Å) Nd(1)-O(2) bond lengths. In the second Nd site, Nd(2) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form NdO12 cuboctahedra that share faces with two equivalent Nd(2)O12 cuboctahedra and faces with eight equivalent Cu(1)O5 square pyramids. All Nd(2)-O(3) bond lengths are 2.77 Å. All Nd(2)-O(1) bond lengths are 2.74 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(3) atoms to form CuO5 square pyramids that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Cu(1)O5 square pyramids, and faces with two equivalent Nd(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. The Cu(1)-O(2) bond length is 1.92 Å. There is one shorter (1.92 Å) and one longer (2.24 Å) Cu(1)-O(1) bond length. Both Cu(1)-O(3) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra and corners with four equivalent Cu(1)O5 square pyramids. The corner-sharing octahedra are not tilted. Both Cu(2)-O(4) bond lengths are 1.92 Å. All Cu(2)-O(2) bond lengths are 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(1), two equivalent Nd(2), and two equivalent Cu(1) atoms to form a mixture of distorted face, corner, and edge-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Nd(1), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(2), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Nd(1) and two equivalent Cu(2) atoms to form corner-sharing ONd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°.