Pr2CuO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a 6-coordinate geometry to five equivalent Pr(1) and one Cu(1) atom.
Pr2CuO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Pr(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. All Pr(1)-O(2) bond lengths are 2.61 Å. There is one shorter (2.33 Å) and four longer (2.75 Å) Pr(1)-O(1) bond lengths. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-O(1) bond lengths are 2.41 Å. All Cu(1)-O(2) bond lengths are 1.89 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent Pr(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner, face, and edge-sharing OPr4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded in a 6-coordinate geometry to five equivalent Pr(1) and one Cu(1) atom.