LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. 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 3-coordinate geometry to one O(7) and four equivalent O(6) atoms. Nd(1) is bonded in a distorted 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 distorted rectangular see-saw-like geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. 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 to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. 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 in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms.
LiBaSrNdCu2TlO7 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(6) atom. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(4) bond length is 1.95 Å. The Li(1)-O(6) bond length is 1.90 Å. 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 2.80 Å. Both Ba(1)-O(1) bond lengths are 2.99 Å. There is one shorter (2.94 Å) and one longer (2.95 Å) Ba(1)-O(2) bond length. There are a spread of Ba(1)-O(5) bond distances ranging from 2.79-2.91 Å. Sr(1) is bonded in a 3-coordinate geometry to one O(7) and four equivalent O(6) atoms. The Sr(1)-O(7) bond length is 2.37 Å. There are a spread of Sr(1)-O(6) bond distances ranging from 2.52-3.13 Å. Nd(1) is bonded in a distorted 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 (2.43 Å) and one longer (2.45 Å) Nd(1)-O(1) bond length. There is one shorter (2.44 Å) and one longer (2.46 Å) Nd(1)-O(2) bond length. There is one shorter (2.59 Å) and one longer (2.69 Å) Nd(1)-O(3) bond length. There is one shorter (2.53 Å) and one longer (2.61 Å) Nd(1)-O(4) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(5), two equivalent O(1), and two equivalent O(2) atoms. The Cu(1)-O(5) bond length is 2.63 Å. Both Cu(1)-O(1) bond lengths are 1.98 Å. Both Cu(1)-O(2) bond lengths are 1.99 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cu(2)-O(3) bond lengths are 1.98 Å. Both Cu(2)-O(4) bond lengths are 1.99 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 2.16 Å. The Tl(1)-O(6) bond length is 2.30 Å. Both Tl(1)-O(7) bond lengths are 2.35 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 to two equivalent Ba(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa2Nd2Cu2 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Nd(1), and two equivalent Cu(2) atoms. 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 in a 6-coordinate geometry to one Li(1), four equivalent Sr(1), and one Tl(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Tl(1) atoms.