Y2CrFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Cr(1), and one Fe(1) atom to form distorted corner-sharing OY2CrFe trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Cr(1), and one Fe(1) atom.
Y2CrFeO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Y(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.23 Å) and one longer (2.29 Å) Y(1)-O(1) bond length. There are a spread of Y(1)-O(2) bond distances ranging from 2.28-2.67 Å. There are a spread of Y(1)-O(3) bond distances ranging from 2.28-2.67 Å. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. Both Cr(1)-O(1) bond lengths are 1.99 Å. Both Cr(1)-O(2) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 2.01 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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-36°. Both Fe(1)-O(1) bond lengths are 2.00 Å. Both Fe(1)-O(2) bond lengths are 2.03 Å. Both Fe(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Cr(1), and one Fe(1) atom to form distorted corner-sharing OY2CrFe trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Y(1), one Cr(1), and one Fe(1) atom.