Ba4PrLa(Cu3O7)2 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(2) atoms. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(4) and four equivalent O(6) atoms. La(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(7) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(6) 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(7) 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(3) 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 a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. 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 in a 6-coordinate geometry to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms.
Ba4PrLa(Cu3O7)2 crystallizes in the orthorhombic Pmmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Both Ba(1)-O(3) bond lengths are 2.89 Å. Both Ba(1)-O(4) bond lengths are 3.03 Å. Both Ba(1)-O(6) bond lengths are 2.99 Å. All Ba(1)-O(1) bond lengths are 2.80 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(3), two equivalent O(5), two equivalent O(7), and four equivalent O(2) atoms. Both Ba(2)-O(3) bond lengths are 2.89 Å. Both Ba(2)-O(5) bond lengths are 3.02 Å. Both Ba(2)-O(7) bond lengths are 2.98 Å. All Ba(2)-O(2) bond lengths are 2.80 Å. Pr(1) is bonded in a body-centered cubic geometry to four equivalent O(4) and four equivalent O(6) atoms. All Pr(1)-O(4) bond lengths are 2.51 Å. All Pr(1)-O(6) bond lengths are 2.50 Å. La(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(7) atoms. All La(1)-O(5) bond lengths are 2.53 Å. All La(1)-O(7) bond lengths are 2.52 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing CuO5 square pyramids. The Cu(1)-O(1) bond length is 2.23 Å. Both Cu(1)-O(4) bond lengths are 1.98 Å. Both Cu(1)-O(6) bond lengths are 2.01 Å. In the second Cu site, Cu(2) is bonded to one O(2), two equivalent O(5), and two equivalent O(7) atoms to form corner-sharing CuO5 square pyramids. The Cu(2)-O(2) bond length is 2.22 Å. Both Cu(2)-O(5) bond lengths are 1.98 Å. Both Cu(2)-O(7) bond lengths are 2.01 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(3) atoms. The Cu(3)-O(1) bond length is 1.88 Å. The Cu(3)-O(2) bond length is 1.88 Å. Both Cu(3)-O(3) bond lengths are 1.99 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 a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(3) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Cu(3) atoms to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. 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 in a 6-coordinate geometry to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Pr(1), and two equivalent Cu(1) atoms. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent La(1), and two equivalent Cu(2) atoms.