M. Winkelmann et al., SUBSTITUTIONAL DISORDER IN THE SYSTEM MG1-XCU2+XO3 CU2+ IN A COMPRESSED OCTAHEDRAL ENVIRONMENT, Zeitschrift fur Kristallographie, 209(11), 1994, pp. 870-873
In the system Mg1-xCu2+xO3 the phase with x = 0, i.e. the compound MgC
u2O3, does not exist. Neutron powder measurements and single crystal X
-ray studies clearly show that the Mg lattice site is partially occupi
ed by Cu2+ ions with typical values of x = 0.1. This substitutional di
sorder, best denoted by the formula (Mg1-xCux)Cu2O3, is surprising, si
nce the coordination polyhedron of the Mg site is a compressed oxygen
octahedron, while the Jahn-Teller ion Cu2+ usually prefers a tetragona
lly elongated oxygen octahedron, as it exists on the regular Cu site o
f the lattice. The local environment of the Cu2+ ions on the Mg site w
as also checked by electron paramagnetic resonance (EPR) measurements.