BaSrPrCu3O7 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Sr4Cu2 octahedra, corners with four equivalent O(7)Ba2Sr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(7)Ba2Sr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(2), and one Cu(3) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba2Sr2Cu2 octahedra, corners with four equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra, edges with four equivalent O(2)Sr4Cu2 octahedra, faces with two equivalent O(7)Ba2Sr2Cu2 octahedra, and faces with two equivalent O(5)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(7)Ba2Sr2Cu2 octahedra, corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra,  an edgeedge with one O(7)Ba2Sr2Cu2 octahedra, edges with two equivalent O(5)Sr2Pr2Cu2 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-59°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Cu(3) atoms to form distorted OBa2Sr2Cu2 octahedra that share corners with two equivalent O(7)Ba2Sr2Cu2 octahedra, corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr2Pr2Cu2 octahedra, edges with two equivalent O(7)Ba2Sr2Cu2 octahedra, faces with two equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°.
BaSrPrCu3O7 crystallizes in the orthorhombic Pmm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(7), and four equivalent O(1) atoms. Both Ba(1)-O(3) bond lengths are 2.97 Å. Both Ba(1)-O(4) bond lengths are 3.03 Å. Both Ba(1)-O(7) bond lengths are 2.92 Å. All Ba(1)-O(1) bond lengths are 2.76 Å. Sr(1) is bonded in a distorted q6 geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. Both Sr(1)-O(5) bond lengths are 2.87 Å. Both Sr(1)-O(6) bond lengths are 2.94 Å. Both Sr(1)-O(7) bond lengths are 2.75 Å. All Sr(1)-O(2) bond lengths are 2.75 Å. Pr(1) is bonded in a body-centered cubic geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Pr(1)-O(3) bond lengths are 2.47 Å. Both Pr(1)-O(4) bond lengths are 2.50 Å. Both Pr(1)-O(5) bond lengths are 2.49 Å. Both Pr(1)-O(6) bond lengths are 2.50 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.22 Å. Both Cu(1)-O(3) bond lengths are 1.99 Å. Both Cu(1)-O(4) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(5), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(2) bond length is 2.09 Å. Both Cu(2)-O(5) bond lengths are 1.99 Å. Both Cu(2)-O(6) bond lengths are 1.94 Å. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to one O(1), one O(2), and two equivalent O(7) atoms. The Cu(3)-O(1) bond length is 1.87 Å. The Cu(3)-O(2) bond length is 1.85 Å. Both Cu(3)-O(7) bond lengths are 1.97 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(2)Sr4Cu2 octahedra, corners with four equivalent O(7)Ba2Sr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, edges with four equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(7)Ba2Sr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the second O site, O(2) is bonded to four equivalent Sr(1), one Cu(2), and one Cu(3) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(1)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba2Sr2Cu2 octahedra, corners with four equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra, edges with four equivalent O(2)Sr4Cu2 octahedra, faces with two equivalent O(7)Ba2Sr2Cu2 octahedra, and faces with two equivalent O(5)Sr2Pr2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-65°. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(2) atoms to form distorted OSr2Pr2Cu2 octahedra that share corners with two equivalent O(7)Ba2Sr2Cu2 octahedra, corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra,  an edgeedge with one O(7)Ba2Sr2Cu2 octahedra, edges with two equivalent O(5)Sr2Pr2Cu2 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-59°. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Pr(1), and two equivalent Cu(2) atoms. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Sr(1), and two equivalent Cu(3) atoms to form distorted OBa2Sr2Cu2 octahedra that share corners with two equivalent O(7)Ba2Sr2Cu2 octahedra, corners with two equivalent O(5)Sr2Pr2Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(2)Sr4Cu2 octahedra,  an edgeedge with one O(5)Sr2Pr2Cu2 octahedra, edges with two equivalent O(7)Ba2Sr2Cu2 octahedra, faces with two equivalent O(1)Ba4Cu2 octahedra, and faces with two equivalent O(2)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 2-67°.