LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. Ba(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), and four equivalent O(5) atoms. Sr(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Nd(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) 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 CuO5 trigonal bipyramids that share  a cornercorner with one Tl(1)O4 tetrahedra and corners with four equivalent Cu(1)O5 trigonal bipyramids. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(4) atoms. Tl(1) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form distorted TlO4 tetrahedra that share corners with two equivalent Tl(1)O4 tetrahedra and  a cornercorner with one Cu(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. 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 distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with four equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with two equivalent O(5)Ba4TlCu octahedra. The corner-sharing octahedral tilt angles range from 13-64°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Nd(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(1), and one Tl(1) atom to form distorted OBa4TlCu octahedra that share corners with four equivalent O(2)Ba2Nd2Cu2 octahedra, corners with four equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra,  a cornercorner with one O(6)Sr2TlCu trigonal pyramid, edges with four equivalent O(5)Ba4TlCu octahedra, edges with two equivalent O(7)BaSrTl2 tetrahedra, and faces with two equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-64°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), one Cu(2), and one Tl(1) atom to form distorted OSr2TlCu trigonal pyramids that share  a cornercorner with one O(5)Ba4TlCu octahedra, corners with four equivalent O(7)BaSrTl2 tetrahedra, and corners with two equivalent O(6)Sr2TlCu trigonal pyramids. The corner-sharing octahedral tilt angles are 35°. In the seventh O site, O(7) is bonded to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms to form distorted OBaSrTl2 tetrahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra, corners with four equivalent O(6)Sr2TlCu trigonal pyramids, and edges with two equivalent O(5)Ba4TlCu octahedra. The corner-sharing octahedral tilt angles range from 45-85°.
LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The Li(1)-O(1) bond length is 2.11 Å. The Li(1)-O(3) bond length is 1.84 Å. The Li(1)-O(4) bond length is 1.84 Å. Ba(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(2), and four equivalent O(5) atoms. The Ba(1)-O(7) bond length is 2.63 Å. There is one shorter (2.83 Å) and one longer (3.02 Å) Ba(1)-O(2) bond length. There are a spread of Ba(1)-O(5) bond distances ranging from 2.82-3.17 Å. Sr(1) is bonded in a 7-coordinate geometry to one O(7), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. The Sr(1)-O(7) bond length is 2.59 Å. There is one shorter (2.63 Å) and one longer (2.84 Å) Sr(1)-O(3) bond length. There is one shorter (2.73 Å) and one longer (2.77 Å) Sr(1)-O(4) bond length. There is one shorter (2.52 Å) and one longer (2.54 Å) Sr(1)-O(6) bond length. Nd(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Nd(1)-O(3) bond length is 2.44 Å. The Nd(1)-O(4) bond length is 2.40 Å. There is one shorter (2.36 Å) and one longer (2.40 Å) Nd(1)-O(1) bond length. There is one shorter (2.31 Å) and one longer (2.52 Å) Nd(1)-O(2) bond length. 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 CuO5 trigonal bipyramids that share  a cornercorner with one Tl(1)O4 tetrahedra and corners with four equivalent Cu(1)O5 trigonal bipyramids. The Cu(1)-O(5) bond length is 2.19 Å. There is one shorter (2.05 Å) and one longer (2.13 Å) Cu(1)-O(1) bond length. There is one shorter (2.18 Å) and one longer (2.20 Å) Cu(1)-O(2) bond length. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(3), and two equivalent O(4) atoms. The Cu(2)-O(6) bond length is 2.05 Å. There is one shorter (2.00 Å) and one longer (2.01 Å) Cu(2)-O(3) bond length. There is one shorter (2.17 Å) and one longer (2.34 Å) Cu(2)-O(4) bond length. Tl(1) is bonded to one O(5), one O(6), and two equivalent O(7) atoms to form distorted TlO4 tetrahedra that share corners with two equivalent Tl(1)O4 tetrahedra and  a cornercorner with one Cu(1)O5 trigonal bipyramid. The Tl(1)-O(5) bond length is 2.21 Å. The Tl(1)-O(6) bond length is 2.12 Å. There is one shorter (2.32 Å) and one longer (2.34 Å) Tl(1)-O(7) bond length. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. 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 distorted OBa2Nd2Cu2 octahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with four equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra, edges with two equivalent O(2)Ba2Nd2Cu2 octahedra, and faces with two equivalent O(5)Ba4TlCu octahedra. The corner-sharing octahedral tilt angles range from 13-64°. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Nd(1), and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Ba(1), one Cu(1), and one Tl(1) atom to form distorted OBa4TlCu octahedra that share corners with four equivalent O(2)Ba2Nd2Cu2 octahedra, corners with four equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra,  a cornercorner with one O(6)Sr2TlCu trigonal pyramid, edges with four equivalent O(5)Ba4TlCu octahedra, edges with two equivalent O(7)BaSrTl2 tetrahedra, and faces with two equivalent O(2)Ba2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-64°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), one Cu(2), and one Tl(1) atom to form distorted OSr2TlCu trigonal pyramids that share  a cornercorner with one O(5)Ba4TlCu octahedra, corners with four equivalent O(7)BaSrTl2 tetrahedra, and corners with two equivalent O(6)Sr2TlCu trigonal pyramids. The corner-sharing octahedral tilt angles are 35°. In the seventh O site, O(7) is bonded to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms to form distorted OBaSrTl2 tetrahedra that share corners with two equivalent O(2)Ba2Nd2Cu2 octahedra, corners with two equivalent O(5)Ba4TlCu octahedra, corners with two equivalent O(7)BaSrTl2 tetrahedra, corners with four equivalent O(6)Sr2TlCu trigonal pyramids, and edges with two equivalent O(5)Ba4TlCu octahedra. The corner-sharing octahedral tilt angles range from 45-85°.