LaCrFeO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom.
LaCrFeO6 crystallizes in the monoclinic Pc space group. La(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.55 Å) and one longer (2.96 Å) La(1)-O(1) bond length. There is one shorter (2.59 Å) and one longer (2.67 Å) La(1)-O(2) bond length. There is one shorter (2.50 Å) and one longer (2.72 Å) La(1)-O(3) bond length. There is one shorter (2.44 Å) and one longer (2.92 Å) La(1)-O(4) bond length. There is one shorter (2.46 Å) and one longer (3.17 Å) La(1)-O(5) bond length. There is one shorter (2.59 Å) and one longer (3.07 Å) La(1)-O(6) bond length. Cr(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form CrO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. The Cr(1)-O(1) bond length is 1.76 Å. The Cr(1)-O(2) bond length is 1.84 Å. The Cr(1)-O(3) bond length is 2.03 Å. The Cr(1)-O(4) bond length is 1.97 Å. The Cr(1)-O(5) bond length is 1.81 Å. The Cr(1)-O(6) bond length is 1.74 Å. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. The Fe(1)-O(1) bond length is 2.10 Å. The Fe(1)-O(2) bond length is 2.07 Å. The Fe(1)-O(3) bond length is 1.91 Å. The Fe(1)-O(4) bond length is 1.93 Å. The Fe(1)-O(5) bond length is 2.02 Å. The Fe(1)-O(6) bond length is 2.04 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent La(1), one Cr(1), and one Fe(1) atom.