Pr2FeCuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Fe(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Fe(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Fe(1), and one Cu(1) atom.
Pr2FeCuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.40 Å) and one longer (2.47 Å) Pr(1)-O(3) bond length. There are a spread of Pr(1)-O(1) bond distances ranging from 2.45-2.74 Å. There are a spread of Pr(1)-O(2) bond distances ranging from 2.45-2.73 Å. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. Both Fe(1)-O(1) bond lengths are 1.99 Å. Both Fe(1)-O(2) bond lengths are 2.03 Å. Both Fe(1)-O(3) bond lengths are 1.99 Å. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CuO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. Both Cu(1)-O(1) bond lengths are 2.06 Å. Both Cu(1)-O(2) bond lengths are 2.03 Å. Both Cu(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Fe(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Pr(1), one Fe(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Pr(1), one Fe(1), and one Cu(1) atom.