Substitutional and positional disorder in Sr2.88Cu3.12(PO4)4

The title compound, a hydrothermally synthesized strontium copper(II) phosphate(V) (2.88/3.12/4), is isotypic with Sr₃Cu₃(PO₄)₄, obtained previously by solid‐state reaction, but not with Sr₃Cu₃(PO₄)₄, obtained previously by the hydrothermal method. A surplus of copper was observed by both structural and chemical analysis, and the formula obtained by the structural analysis is in full agreement with results of the EDX (energy‐dispersive X‐ray diffraction) analysis. The structure consists of layers of Cu₃O₁₂ groups which are linked via the PO₄ tetrahedra. The Cu₃O₁₂ groups are formed by one Cu1O₄ and two Cu2O₅ coordination polyhedra sharing corners. The central Cu1 atom of the Cu₃O₁₂ group is located at an inversion centre (special position 2a). The unique structural feature of the title compound is the presence of 12% Cu in the Sr1 site (special position 2b, site symmetry ). Moreover, disordered Sr2 atoms were observed: a main site (Sr2a, 90%) and a less occupied site (Sr2b, 10%) are displaced by 0.48 (3) Å along the b axis. Such substitutional and positional disorder was not observed previously in similar compounds.