Ba3La5Tl2(Cu2O9)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(1), two equivalent O(2), and four equivalent O(9) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(3), two equivalent O(4), and four equivalent O(10) atoms. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(3), two equivalent O(4), and four equivalent O(10) atoms. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(1), two equivalent O(2), and four equivalent O(9) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), and four equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(2)O6 octahedra and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Cu site, Cu(2) is bonded to one O(2), one O(6), and four equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(3), one O(7), and four equivalent O(10) atoms. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one O(4), one O(8), and four equivalent O(10) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(12) atoms to form distorted TlO6 octahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the second Tl site, Tl(2) is bonded to one O(1), one O(4), two equivalent O(11), and two equivalent O(12) atoms to form distorted TlO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent Tl(2)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(5), one Cu(1), and one Tl(2) atom to form distorted OBa2La2TlCu octahedra that share  a cornercorner with one O(5)La5Cu octahedra, corners with four equivalent O(1)Ba2La2TlCu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(12)Ba2Tl4 octahedra, edges with two equivalent O(11)BaLaTl4 octahedra, edges with four equivalent O(2)Ba2La2TlCu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(5), one Cu(2), and one Tl(1) atom to form distorted OBa2La2TlCu octahedra that share  a cornercorner with one O(6)La5Cu octahedra, corners with four equivalent O(2)Ba2La2TlCu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(12)Ba2Tl4 octahedra, edges with two equivalent O(11)BaLaTl4 octahedra, edges with four equivalent O(1)Ba2La2TlCu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Cu(3), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Cu(4), and one Tl(2) atom. In the fifth O site, O(5) is bonded to one La(3), two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(1)Ba2La2TlCu octahedra, corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(5)La5Cu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with four equivalent O(6)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the sixth O site, O(6) is bonded to one La(4), two equivalent La(1), two equivalent La(2), and one Cu(2) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(2)Ba2La2TlCu octahedra, corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(6)La5Cu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with four equivalent O(5)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one La(1), one La(2), one La(5), one Cu(1), and one Cu(2) atom to form distorted OBaLa3Cu2 octahedra that share  a cornercorner with one O(12)Ba2Tl4 octahedra,  a cornercorner with one O(11)BaLaTl4 octahedra, corners with two equivalent O(1)Ba2La2TlCu octahedra, corners with two equivalent O(2)Ba2La2TlCu octahedra, corners with two equivalent O(9)BaLa3Cu2 octahedra, corners with two equivalent O(5)La5Cu octahedra, corners with two equivalent O(6)La5Cu octahedra, edges with two equivalent O(9)BaLa3Cu2 octahedra,  a faceface with one O(1)Ba2La2TlCu octahedra,  a faceface with one O(2)Ba2La2TlCu octahedra,  a faceface with one O(5)La5Cu octahedra,  a faceface with one O(6)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the tenth O site, O(10) is bonded to one Ba(2), one Ba(3), one La(3), one La(4), one Cu(3), and one Cu(4) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Tl4 octahedra,  a cornercorner with one O(11)BaLaTl4 octahedra,  a cornercorner with one O(5)La5Cu octahedra,  a cornercorner with one O(6)La5Cu octahedra, corners with two equivalent O(10)Ba2La2Cu2 octahedra, edges with two equivalent O(10)Ba2La2Cu2 octahedra, and faces with four equivalent O(10)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. In the eleventh O site, O(11) is bonded to one Ba(3), one La(5), two equivalent Tl(1), and two equivalent Tl(2) atoms to form distorted OBaLaTl4 octahedra that share corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(9)BaLa3Cu2 octahedra, corners with four equivalent O(11)BaLaTl4 octahedra, edges with two equivalent O(1)Ba2La2TlCu octahedra, edges with two equivalent O(2)Ba2La2TlCu octahedra, and edges with four equivalent O(12)Ba2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 13-44°. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), two equivalent Tl(1), and two equivalent Tl(2) atoms to form OBa2Tl4 octahedra that share corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(12)Ba2Tl4 octahedra, corners with four equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(1)Ba2La2TlCu octahedra, edges with two equivalent O(2)Ba2La2TlCu octahedra, and edges with four equivalent O(11)BaLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 2-44°.
Ba3La5Tl2(Cu2O9)2 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(1), two equivalent O(2), and four equivalent O(9) atoms. The Ba(1)-O(12) bond length is 2.63 Å. Both Ba(1)-O(1) bond lengths are 2.75 Å. Both Ba(1)-O(2) bond lengths are 2.75 Å. All Ba(1)-O(9) bond lengths are 2.83 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(12), two equivalent O(3), two equivalent O(4), and four equivalent O(10) atoms. The Ba(2)-O(12) bond length is 2.67 Å. Both Ba(2)-O(3) bond lengths are 2.79 Å. Both Ba(2)-O(4) bond lengths are 2.78 Å. All Ba(2)-O(10) bond lengths are 2.88 Å. In the third Ba site, Ba(3) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(3), two equivalent O(4), and four equivalent O(10) atoms. The Ba(3)-O(11) bond length is 2.98 Å. Both Ba(3)-O(3) bond lengths are 2.78 Å. Both Ba(3)-O(4) bond lengths are 2.78 Å. All Ba(3)-O(10) bond lengths are 2.90 Å. There are five inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. The La(1)-O(7) bond length is 2.28 Å. Both La(1)-O(5) bond lengths are 2.77 Å. Both La(1)-O(6) bond lengths are 2.77 Å. All La(1)-O(9) bond lengths are 2.68 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to one O(8), two equivalent O(5), two equivalent O(6), and four equivalent O(9) atoms. The La(2)-O(8) bond length is 2.33 Å. Both La(2)-O(5) bond lengths are 2.77 Å. Both La(2)-O(6) bond lengths are 2.77 Å. All La(2)-O(9) bond lengths are 2.60 Å. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(5), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. The La(3)-O(5) bond length is 2.38 Å. Both La(3)-O(7) bond lengths are 2.79 Å. Both La(3)-O(8) bond lengths are 2.78 Å. All La(3)-O(10) bond lengths are 2.55 Å. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(6), two equivalent O(7), two equivalent O(8), and four equivalent O(10) atoms. The La(4)-O(6) bond length is 2.37 Å. Both La(4)-O(7) bond lengths are 2.80 Å. Both La(4)-O(8) bond lengths are 2.78 Å. All La(4)-O(10) bond lengths are 2.56 Å. In the fifth La site, La(5) is bonded in a 9-coordinate geometry to one O(11), two equivalent O(1), two equivalent O(2), and four equivalent O(9) atoms. The La(5)-O(11) bond length is 2.40 Å. Both La(5)-O(1) bond lengths are 2.78 Å. Both La(5)-O(2) bond lengths are 2.78 Å. All La(5)-O(9) bond lengths are 2.66 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(5), and four equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(2)O6 octahedra and corners with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Cu(1)-O(1) bond length is 2.47 Å. The Cu(1)-O(5) bond length is 2.36 Å. All Cu(1)-O(9) bond lengths are 1.93 Å. In the second Cu site, Cu(2) is bonded to one O(2), one O(6), and four equivalent O(9) atoms to form CuO6 octahedra that share  a cornercorner with one Tl(1)O6 octahedra and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. The Cu(2)-O(2) bond length is 2.47 Å. The Cu(2)-O(6) bond length is 2.37 Å. All Cu(2)-O(9) bond lengths are 1.91 Å. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one O(3), one O(7), and four equivalent O(10) atoms. The Cu(3)-O(3) bond length is 2.66 Å. The Cu(3)-O(7) bond length is 2.46 Å. All Cu(3)-O(10) bond lengths are 1.91 Å. In the fourth Cu site, Cu(4) is bonded in a 6-coordinate geometry to one O(4), one O(8), and four equivalent O(10) atoms. The Cu(4)-O(4) bond length is 2.68 Å. The Cu(4)-O(8) bond length is 2.36 Å. All Cu(4)-O(10) bond lengths are 1.93 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(12) atoms to form distorted TlO6 octahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Tl(1)-O(2) bond length is 2.13 Å. The Tl(1)-O(3) bond length is 2.10 Å. Both Tl(1)-O(11) bond lengths are 2.73 Å. Both Tl(1)-O(12) bond lengths are 2.72 Å. In the second Tl site, Tl(2) is bonded to one O(1), one O(4), two equivalent O(11), and two equivalent O(12) atoms to form distorted TlO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent Tl(2)O6 octahedra, and edges with four equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. The Tl(2)-O(1) bond length is 2.13 Å. The Tl(2)-O(4) bond length is 2.10 Å. Both Tl(2)-O(11) bond lengths are 2.73 Å. Both Tl(2)-O(12) bond lengths are 2.71 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent La(5), one Cu(1), and one Tl(2) atom to form distorted OBa2La2TlCu octahedra that share  a cornercorner with one O(5)La5Cu octahedra, corners with four equivalent O(1)Ba2La2TlCu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(12)Ba2Tl4 octahedra, edges with two equivalent O(11)BaLaTl4 octahedra, edges with four equivalent O(2)Ba2La2TlCu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent La(5), one Cu(2), and one Tl(1) atom to form distorted OBa2La2TlCu octahedra that share  a cornercorner with one O(6)La5Cu octahedra, corners with four equivalent O(2)Ba2La2TlCu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(12)Ba2Tl4 octahedra, edges with two equivalent O(11)BaLaTl4 octahedra, edges with four equivalent O(1)Ba2La2TlCu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Cu(3), and one Tl(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Ba(3), one Cu(4), and one Tl(2) atom. In the fifth O site, O(5) is bonded to one La(3), two equivalent La(1), two equivalent La(2), and one Cu(1) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(1)Ba2La2TlCu octahedra, corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(5)La5Cu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with four equivalent O(6)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the sixth O site, O(6) is bonded to one La(4), two equivalent La(1), two equivalent La(2), and one Cu(2) atom to form distorted OLa5Cu octahedra that share  a cornercorner with one O(2)Ba2La2TlCu octahedra, corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(6)La5Cu octahedra, corners with eight equivalent O(9)BaLa3Cu2 octahedra, edges with four equivalent O(5)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-51°. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one La(1), two equivalent La(3), two equivalent La(4), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one La(2), two equivalent La(3), two equivalent La(4), and one Cu(4) atom. In the ninth O site, O(9) is bonded to one Ba(1), one La(1), one La(2), one La(5), one Cu(1), and one Cu(2) atom to form distorted OBaLa3Cu2 octahedra that share  a cornercorner with one O(12)Ba2Tl4 octahedra,  a cornercorner with one O(11)BaLaTl4 octahedra, corners with two equivalent O(1)Ba2La2TlCu octahedra, corners with two equivalent O(2)Ba2La2TlCu octahedra, corners with two equivalent O(9)BaLa3Cu2 octahedra, corners with two equivalent O(5)La5Cu octahedra, corners with two equivalent O(6)La5Cu octahedra, edges with two equivalent O(9)BaLa3Cu2 octahedra,  a faceface with one O(1)Ba2La2TlCu octahedra,  a faceface with one O(2)Ba2La2TlCu octahedra,  a faceface with one O(5)La5Cu octahedra,  a faceface with one O(6)La5Cu octahedra, and faces with four equivalent O(9)BaLa3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the tenth O site, O(10) is bonded to one Ba(2), one Ba(3), one La(3), one La(4), one Cu(3), and one Cu(4) atom to form distorted OBa2La2Cu2 octahedra that share  a cornercorner with one O(12)Ba2Tl4 octahedra,  a cornercorner with one O(11)BaLaTl4 octahedra,  a cornercorner with one O(5)La5Cu octahedra,  a cornercorner with one O(6)La5Cu octahedra, corners with two equivalent O(10)Ba2La2Cu2 octahedra, edges with two equivalent O(10)Ba2La2Cu2 octahedra, and faces with four equivalent O(10)Ba2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-49°. In the eleventh O site, O(11) is bonded to one Ba(3), one La(5), two equivalent Tl(1), and two equivalent Tl(2) atoms to form distorted OBaLaTl4 octahedra that share corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(9)BaLa3Cu2 octahedra, corners with four equivalent O(11)BaLaTl4 octahedra, edges with two equivalent O(1)Ba2La2TlCu octahedra, edges with two equivalent O(2)Ba2La2TlCu octahedra, and edges with four equivalent O(12)Ba2Tl4 octahedra. The corner-sharing octahedral tilt angles range from 13-44°. In the twelfth O site, O(12) is bonded to one Ba(1), one Ba(2), two equivalent Tl(1), and two equivalent Tl(2) atoms to form OBa2Tl4 octahedra that share corners with four equivalent O(10)Ba2La2Cu2 octahedra, corners with four equivalent O(12)Ba2Tl4 octahedra, corners with four equivalent O(9)BaLa3Cu2 octahedra, edges with two equivalent O(1)Ba2La2TlCu octahedra, edges with two equivalent O(2)Ba2La2TlCu octahedra, and edges with four equivalent O(11)BaLaTl4 octahedra. The corner-sharing octahedral tilt angles range from 2-44°.