Er2VFeO6 crystallizes in the monoclinic P2_1/c space group. Er(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1), one V(1), and one Fe(1) atom to form distorted corner-sharing OEr2VFe trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1), one V(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Er(1), one V(1), and one Fe(1) atom.
Er2VFeO6 crystallizes in the monoclinic P2_1/c space group. Er(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 (2.22 Å) and one longer (2.28 Å) Er(1)-O(1) bond length. There are a spread of Er(1)-O(2) bond distances ranging from 2.25-2.63 Å. There are a spread of Er(1)-O(3) bond distances ranging from 2.27-2.66 Å. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Both V(1)-O(1) bond lengths are 2.02 Å. Both V(1)-O(2) bond lengths are 2.06 Å. Both V(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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Both Fe(1)-O(1) bond lengths are 1.96 Å. Both Fe(1)-O(2) bond lengths are 1.98 Å. Both Fe(1)-O(3) bond lengths are 2.02 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Er(1), one V(1), and one Fe(1) atom to form distorted corner-sharing OEr2VFe trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Er(1), one V(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Er(1), one V(1), and one Fe(1) atom.