Pr2Tl2Sr2Cu3O10 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Tl(1) is bonded in a distorted linear geometry to one O(4) and five equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with two equivalent O(3)SrTl5 octahedra, corners with four equivalent O(4)Sr4TlCu octahedra, corners with six equivalent O(2)Pr4Cu2 octahedra,  an edgeedge with one O(2)Pr4Cu2 octahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra, faces with two equivalent O(4)Sr4TlCu octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second O site, O(2) is bonded to four equivalent Pr(1) and two equivalent Cu(2) atoms to form OPr4Cu2 octahedra that share corners with two equivalent O(2)Pr4Cu2 octahedra, corners with twelve equivalent O(1)Sr2Pr2Cu2 octahedra, edges with two equivalent O(2)Pr4Cu2 octahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(2)Pr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1) and five equivalent Tl(1) atoms to form distorted OSrTl5 octahedra that share  a cornercorner with one O(4)Sr4TlCu octahedra, corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(3)SrTl5 octahedra, edges with four equivalent O(4)Sr4TlCu octahedra, and edges with eight equivalent O(3)SrTl5 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share  a cornercorner with one O(3)SrTl5 octahedra, corners with four equivalent O(4)Sr4TlCu octahedra, corners with eight equivalent O(1)Sr2Pr2Cu2 octahedra, edges with four equivalent O(4)Sr4TlCu octahedra, edges with four equivalent O(3)SrTl5 octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.
Pr2Tl2Sr2Cu3O10 crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(4) atoms. The Sr(1)-O(3) bond length is 2.61 Å. All Sr(1)-O(1) bond lengths are 2.82 Å. All Sr(1)-O(4) bond lengths are 2.82 Å. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Pr(1)-O(1) bond lengths are 2.45 Å. All Pr(1)-O(2) bond lengths are 2.64 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(4) bond length is 2.27 Å. All Cu(1)-O(1) bond lengths are 1.98 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Cu(2)-O(2) bond lengths are 1.98 Å. Tl(1) is bonded in a distorted linear geometry to one O(4) and five equivalent O(3) atoms. The Tl(1)-O(4) bond length is 2.16 Å. There is one shorter (2.19 Å) and four longer (2.80 Å) Tl(1)-O(3) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(1) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(1)Sr2Pr2Cu2 octahedra, corners with two equivalent O(3)SrTl5 octahedra, corners with four equivalent O(4)Sr4TlCu octahedra, corners with six equivalent O(2)Pr4Cu2 octahedra,  an edgeedge with one O(2)Pr4Cu2 octahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra, faces with two equivalent O(4)Sr4TlCu octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second O site, O(2) is bonded to four equivalent Pr(1) and two equivalent Cu(2) atoms to form OPr4Cu2 octahedra that share corners with two equivalent O(2)Pr4Cu2 octahedra, corners with twelve equivalent O(1)Sr2Pr2Cu2 octahedra, edges with two equivalent O(2)Pr4Cu2 octahedra, edges with two equivalent O(1)Sr2Pr2Cu2 octahedra, and faces with four equivalent O(2)Pr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Sr(1) and five equivalent Tl(1) atoms to form distorted OSrTl5 octahedra that share  a cornercorner with one O(4)Sr4TlCu octahedra, corners with four equivalent O(1)Sr2Pr2Cu2 octahedra, corners with four equivalent O(3)SrTl5 octahedra, edges with four equivalent O(4)Sr4TlCu octahedra, and edges with eight equivalent O(3)SrTl5 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the fourth O site, O(4) is bonded to four equivalent Sr(1), one Cu(1), and one Tl(1) atom to form distorted OSr4TlCu octahedra that share  a cornercorner with one O(3)SrTl5 octahedra, corners with four equivalent O(4)Sr4TlCu octahedra, corners with eight equivalent O(1)Sr2Pr2Cu2 octahedra, edges with four equivalent O(4)Sr4TlCu octahedra, edges with four equivalent O(3)SrTl5 octahedra, and faces with four equivalent O(1)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°.