BaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. Sr(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. Nd(1) is bonded in a body-centered cubic 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 to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. Tl(1) is bonded in a see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(6)Sr4TlCu octahedra, edges with two equivalent O(4)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(6)Sr4TlCu octahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Cu(2), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(6)Sr4TlCu octahedra, edges with four equivalent O(6)Sr4TlCu octahedra, and faces with two equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms.
BaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. The Ba(1)-O(7) bond length is 2.73 Å. There is one shorter (2.99 Å) and one longer (3.03 Å) Ba(1)-O(1) bond length. Both Ba(1)-O(2) bond lengths are 2.99 Å. There are two shorter (2.78 Å) and two longer (2.84 Å) Ba(1)-O(5) bond lengths. Sr(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and four equivalent O(6) atoms. The Sr(1)-O(7) bond length is 2.49 Å. There is one shorter (2.82 Å) and one longer (2.90 Å) Sr(1)-O(3) bond length. Both Sr(1)-O(4) bond lengths are 2.84 Å. There are two shorter (2.73 Å) and two longer (2.85 Å) Sr(1)-O(6) bond lengths. Nd(1) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Nd(1)-O(1) bond lengths are 2.49 Å. Both Nd(1)-O(2) bond lengths are 2.48 Å. There is one shorter (2.49 Å) and one longer (2.50 Å) Nd(1)-O(3) bond length. Both Nd(1)-O(4) bond lengths are 2.50 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(1)-O(5) bond length is 2.62 Å. Both Cu(1)-O(1) bond lengths are 1.95 Å. Both Cu(1)-O(2) bond lengths are 1.97 Å. In the second Cu site, Cu(2) is bonded to one O(6), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(6) bond length is 2.26 Å. Both Cu(2)-O(3) bond lengths are 1.96 Å. Both Cu(2)-O(4) bond lengths are 1.97 Å. Tl(1) is bonded in a see-saw-like geometry to one O(5), one O(6), and two equivalent O(7) atoms. The Tl(1)-O(5) bond length is 2.15 Å. The Tl(1)-O(6) bond length is 2.14 Å. Both Tl(1)-O(7) bond lengths are 2.37 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(2) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(6)Sr4TlCu octahedra, edges with two equivalent O(4)Sr2Nd2Cu2 octahedra, and faces with two equivalent O(6)Sr4TlCu octahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Cu(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded to four equivalent Sr(1), one Cu(2), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(6)Sr4TlCu octahedra, edges with four equivalent O(6)Sr4TlCu octahedra, and faces with two equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 17-56°. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms.