TlSrLaCuO5 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(3) atoms. Cu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Tl(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form TlO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(1)Sr4TlCu octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, edges with four equivalent O(4)SrLaTl4 octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(3)Sr2La2Cu2 octahedra, corners with four equivalent O(1)Sr4TlCu octahedra, corners with four equivalent O(4)SrLaTl4 octahedra, edges with two equivalent O(3)Sr2La2Cu2 octahedra, faces with two equivalent O(1)Sr4TlCu octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth O site, O(4) is bonded to one Sr(1), one La(1), and four equivalent Tl(1) atoms to form OSrLaTl4 octahedra that share corners with four equivalent O(4)SrLaTl4 octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, and edges with four equivalent O(4)SrLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 7-49°.
TlSrLaCuO5 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(1), and four equivalent O(3) atoms. The Sr(1)-O(4) bond length is 2.73 Å. All Sr(1)-O(1) bond lengths are 2.73 Å. All Sr(1)-O(3) bond lengths are 2.78 Å. La(1) is bonded in a 9-coordinate geometry to one O(4), four equivalent O(2), and four equivalent O(3) atoms. The La(1)-O(4) bond length is 2.52 Å. All La(1)-O(2) bond lengths are 2.76 Å. All La(1)-O(3) bond lengths are 2.53 Å. Cu(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. The Cu(1)-O(1) bond length is 2.33 Å. The Cu(1)-O(2) bond length is 2.42 Å. All Cu(1)-O(3) bond lengths are 1.91 Å. Tl(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form TlO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. The Tl(1)-O(1) bond length is 2.09 Å. The Tl(1)-O(2) bond length is 2.10 Å. All Tl(1)-O(4) bond lengths are 2.70 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share corners with four equivalent O(1)Sr4TlCu octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, edges with four equivalent O(4)SrLaTl4 octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 20-53°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent La(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(3)Sr2La2Cu2 octahedra, corners with four equivalent O(1)Sr4TlCu octahedra, corners with four equivalent O(4)SrLaTl4 octahedra, edges with two equivalent O(3)Sr2La2Cu2 octahedra, faces with two equivalent O(1)Sr4TlCu octahedra, and faces with four equivalent O(3)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 10-53°. In the fourth O site, O(4) is bonded to one Sr(1), one La(1), and four equivalent Tl(1) atoms to form OSrLaTl4 octahedra that share corners with four equivalent O(4)SrLaTl4 octahedra, corners with eight equivalent O(3)Sr2La2Cu2 octahedra, edges with four equivalent O(1)Sr4TlCu octahedra, and edges with four equivalent O(4)SrLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 7-49°.