Ba2NdLa3(CuO5)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Nd(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(2)Ba2La3Cu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(2)Ba2La3Cu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(2)Ba2La3Cu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the second O site, O(2) is bonded to two equivalent Ba(1), one La(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La3Cu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(1)Ba2La2NdCu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(1)Ba2La2NdCu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Nd(1), one La(1), one La(2), and one Cu(2) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(3)Ba2La2NdCu octahedra, edges with two equivalent O(1)Ba2La2NdCu octahedra, edges with two equivalent O(2)Ba2La3Cu octahedra, faces with two equivalent O(4)Ba2La3Nd octahedra, and faces with three equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 1-78°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nd(1), one La(1), and two equivalent La(2) atoms to form OBa2La3Nd octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with six equivalent O(4)Ba2La3Nd octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with four equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 0-62°.
Ba2NdLa3(CuO5)2 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a distorted q6 geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Both Ba(1)-O(1) bond lengths are 2.98 Å. Both Ba(1)-O(2) bond lengths are 3.01 Å. Both Ba(1)-O(4) bond lengths are 2.96 Å. There are two shorter (2.98 Å) and two longer (3.05 Å) Ba(1)-O(3) bond lengths. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms. Both Nd(1)-O(1) bond lengths are 2.35 Å. Both Nd(1)-O(4) bond lengths are 2.51 Å. All Nd(1)-O(3) bond lengths are 2.63 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Both La(1)-O(2) bond lengths are 2.36 Å. Both La(1)-O(4) bond lengths are 2.54 Å. All La(1)-O(3) bond lengths are 2.68 Å. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both La(2)-O(1) bond lengths are 2.67 Å. Both La(2)-O(2) bond lengths are 2.68 Å. Both La(2)-O(3) bond lengths are 2.37 Å. There is one shorter (2.51 Å) and one longer (2.55 Å) La(2)-O(4) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.97 Å. Both Cu(1)-O(2) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Cu(2)-O(3) bond lengths are 1.96 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Nd(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(2)Ba2La3Cu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(2)Ba2La3Cu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(2)Ba2La3Cu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-77°. In the second O site, O(2) is bonded to two equivalent Ba(1), one La(1), two equivalent La(2), and one Cu(1) atom to form distorted OBa2La3Cu octahedra that share corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(1)Ba2La2NdCu octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(1)Ba2La2NdCu octahedra, edges with four equivalent O(3)Ba2La2NdCu octahedra,  a faceface with one O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with two equivalent O(4)Ba2La3Nd octahedra. The corner-sharing octahedral tilt angles range from 0-78°. In the third O site, O(3) is bonded to two equivalent Ba(1), one Nd(1), one La(1), one La(2), and one Cu(2) atom to form distorted OBa2La2NdCu octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with four equivalent O(4)Ba2La3Nd octahedra, corners with five equivalent O(3)Ba2La2NdCu octahedra,  an edgeedge with one O(3)Ba2La2NdCu octahedra, edges with two equivalent O(1)Ba2La2NdCu octahedra, edges with two equivalent O(2)Ba2La3Cu octahedra, faces with two equivalent O(4)Ba2La3Nd octahedra, and faces with three equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 1-78°. In the fourth O site, O(4) is bonded to two equivalent Ba(1), one Nd(1), one La(1), and two equivalent La(2) atoms to form OBa2La3Nd octahedra that share corners with four equivalent O(1)Ba2La2NdCu octahedra, corners with four equivalent O(2)Ba2La3Cu octahedra, corners with six equivalent O(4)Ba2La3Nd octahedra, corners with eight equivalent O(3)Ba2La2NdCu octahedra, faces with two equivalent O(1)Ba2La2NdCu octahedra, faces with two equivalent O(2)Ba2La3Cu octahedra, and faces with four equivalent O(3)Ba2La2NdCu octahedra. The corner-sharing octahedral tilt angles range from 0-62°.