LiBaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(7) and two equivalent O(5) atoms. Ba(1) is bonded in a 6-coordinate geometry to 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 in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. 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 4-coordinate 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 to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with four equivalent O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(1)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(1)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. 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(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(1)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(2)Ba2Nd2Cu2 octahedra, and edges with two equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(2), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), and two equivalent Tl(1) atoms.
LiBaSrNdCu2TlO7 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(7) and two equivalent O(5) atoms. The Li(1)-O(7) bond length is 1.84 Å. Both Li(1)-O(5) bond lengths are 2.16 Å. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. There is one shorter (2.73 Å) and one longer (2.79 Å) Ba(1)-O(1) bond length. Both Ba(1)-O(2) bond lengths are 2.75 Å. There are two shorter (2.94 Å) and two longer (3.31 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 2.72 Å. There is one shorter (2.82 Å) and one longer (2.91 Å) Sr(1)-O(3) bond length. Both Sr(1)-O(4) bond lengths are 2.75 Å. There are two shorter (2.66 Å) and two longer (3.02 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. There is one shorter (2.61 Å) and one longer (2.62 Å) Nd(1)-O(1) bond length. Both Nd(1)-O(2) bond lengths are 2.53 Å. Both Nd(1)-O(3) bond lengths are 2.46 Å. Both Nd(1)-O(4) bond lengths are 2.47 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.95 Å. Both Cu(1)-O(2) bond lengths are 2.01 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 2.28 Å. Both Cu(2)-O(3) bond lengths are 1.96 Å. There is one shorter (2.01 Å) and one longer (2.02 Å) Cu(2)-O(4) bond length. Tl(1) is bonded in a 4-coordinate geometry to one O(5), one O(6), and two equivalent O(7) atoms. The Tl(1)-O(5) bond length is 2.32 Å. The Tl(1)-O(6) bond length is 2.17 Å. Both Tl(1)-O(7) bond lengths are 2.27 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(1)Ba2Nd2Cu2 octahedra, corners with four equivalent O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(1)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra,  an edgeedge with one O(4)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with four equivalent O(1)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. 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(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(4)Sr2Nd2Cu2 octahedra, corners with four equivalent O(1)Ba2Nd2Cu2 octahedra,  an edgeedge with one O(2)Ba2Nd2Cu2 octahedra, and edges with two equivalent O(4)Sr2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to two equivalent Li(1), four equivalent Ba(1), and one Tl(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(2), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), and two equivalent Tl(1) atoms.