Cu2FeSbO6 is Hausmannite-derived structured and crystallizes in the orthorhombic Ibca space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted corner-sharing OFeCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom.
Cu2FeSbO6 is Hausmannite-derived structured and crystallizes in the orthorhombic Ibca space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted FeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. Both Fe(1)-O(1) bond lengths are 2.20 Å. Both Fe(1)-O(2) bond lengths are 1.98 Å. Both Fe(1)-O(3) bond lengths are 2.04 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Cu(1)-O(1) bond lengths are 2.06 Å. Both Cu(1)-O(2) bond lengths are 2.42 Å. Both Cu(1)-O(3) bond lengths are 1.92 Å. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-59°. Both Cu(2)-O(1) bond lengths are 1.97 Å. Both Cu(2)-O(2) bond lengths are 2.08 Å. Both Cu(2)-O(3) bond lengths are 2.39 Å. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-53°. Both Sb(1)-O(1) bond lengths are 2.07 Å. Both Sb(1)-O(2) bond lengths are 2.02 Å. Both Sb(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 one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom to form distorted corner-sharing OFeCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Cu(1), one Cu(2), and one Sb(1) atom.