Mg2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMg2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(2) atoms to form corner-sharing OMg2Fe2 tetrahedra.
Mg2Fe2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Mg(1)-O(3) bond length is 2.08 Å. There is one shorter (2.04 Å) and one longer (2.40 Å) Mg(1)-O(1) bond length. There is one shorter (2.02 Å) and one longer (2.17 Å) Mg(1)-O(2) bond length. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with four equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. Both Fe(1)-O(2) bond lengths are 2.13 Å. There are two shorter (1.94 Å) and two longer (2.03 Å) Fe(1)-O(1) bond lengths. In the second Fe site, Fe(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form FeO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. Both Fe(2)-O(2) bond lengths are 1.89 Å. There is one shorter (1.96 Å) and one longer (2.00 Å) Fe(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OMg2Fe2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Fe(2) atoms to form corner-sharing OMg2Fe2 tetrahedra.