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In the system Mg 1 −  x  Cu 2 +  x  O 3  the phase with  x  = 0, i.e. the compound MgCu 2 O 3 , does not exist. Neutron powder measurements and single crystal X-ray studies clearly show that the Mg lattice site is partially occupied by Cu 2+  ions with typical values of  x  = 0.1. This substitutional disorder, best denoted by the formula (Mg 1 − x Cu x )Cu 2 O 3 , is surprising, since the coordination polyhedron of the Mg site is a compressed oxygen octahedron, while the Jahn-Teller ion Cu 2+  usually prefers a tetragonally elongated oxygen octahedron, as it exists on the regular Cu site of the lattice. The local environment of the Cu 2+  ions on the Mg site was also checked by electron paramagnetic resonance (EPR) measurements.

Substitutional disorder in the system Mg 1 − x Cu 2 + x O 3 : Cu 2+ in a compressed octahedral environment