NdLa3(CuO4)2 crystallizes in the monoclinic Cm space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. In the second Cu site, Cu(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one La(1), one La(2), one La(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted face, corner, and edge-sharing OLa3NdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Nd(1), one La(1), one La(2), one La(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted face, corner, and edge-sharing OLa3NdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent La(1), two equivalent La(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one La(1), two equivalent La(3), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one La(2), two equivalent La(3), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(2), and one Cu(2) atom.
NdLa3(CuO4)2 crystallizes in the monoclinic Cm space group. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Nd(1)-O(3) bond length is 2.32 Å. The Nd(1)-O(5) bond length is 2.41 Å. Both Nd(1)-O(1) bond lengths are 2.68 Å. Both Nd(1)-O(2) bond lengths are 2.55 Å. Both Nd(1)-O(4) bond lengths are 2.75 Å. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. The La(1)-O(4) bond length is 2.31 Å. Both La(1)-O(1) bond lengths are 2.60 Å. Both La(1)-O(2) bond lengths are 2.74 Å. Both La(1)-O(3) bond lengths are 2.76 Å. There is one shorter (2.47 Å) and one longer (3.17 Å) La(1)-O(6) bond length. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. The La(2)-O(5) bond length is 2.31 Å. Both La(2)-O(1) bond lengths are 2.61 Å. Both La(2)-O(2) bond lengths are 2.76 Å. There is one shorter (2.45 Å) and one longer (3.21 Å) La(2)-O(3) bond length. Both La(2)-O(6) bond lengths are 2.75 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The La(3)-O(6) bond length is 2.32 Å. Both La(3)-O(1) bond lengths are 2.71 Å. Both La(3)-O(2) bond lengths are 2.58 Å. There is one shorter (2.47 Å) and one longer (3.17 Å) La(3)-O(4) bond length. Both La(3)-O(5) bond lengths are 2.76 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. The Cu(1)-O(3) bond length is 2.50 Å. The Cu(1)-O(4) bond length is 2.43 Å. Both Cu(1)-O(1) bond lengths are 1.93 Å. Both Cu(1)-O(2) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 9-10°. The Cu(2)-O(5) bond length is 2.46 Å. The Cu(2)-O(6) bond length is 2.45 Å. Both Cu(2)-O(1) bond lengths are 1.93 Å. Both Cu(2)-O(2) bond lengths are 1.92 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1), one La(1), one La(2), one La(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted face, corner, and edge-sharing OLa3NdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Nd(1), one La(1), one La(2), one La(3), one Cu(1), and one Cu(2) atom to form a mixture of distorted face, corner, and edge-sharing OLa3NdCu2 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Nd(1), two equivalent La(1), two equivalent La(2), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Nd(1), one La(1), two equivalent La(3), and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Nd(1), one La(2), two equivalent La(3), and one Cu(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one La(3), two equivalent La(1), two equivalent La(2), and one Cu(2) atom.