Mg2Cu2O5 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 Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing OMg2Cu2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Cu(2) atoms to form distorted corner-sharing OMg2Cu2 tetrahedra.
Mg2Cu2O5 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 2.01 Å. There is one shorter (2.04 Å) and one longer (2.23 Å) Mg(1)-O(1) bond length. There is one shorter (2.03 Å) and one longer (2.16 Å) Mg(1)-O(2) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. Both Cu(1)-O(2) bond lengths are 2.00 Å. There are two shorter (1.91 Å) and two longer (1.96 Å) Cu(1)-O(1) bond lengths. In the second Cu site, Cu(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. Both Cu(2)-O(2) bond lengths are 1.90 Å. There is one shorter (1.94 Å) and one longer (1.99 Å) Cu(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Cu(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Cu(1), and one Cu(2) atom to form distorted corner-sharing OMg2Cu2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Cu(2) atoms to form distorted corner-sharing OMg2Cu2 tetrahedra.