Synthesis and crystal structure of Na₅Cu₃(PO₄)₂(PO₄HPO₄)

Abstract

Crystals of Na5Cu3(PO4)2(PO4HPO4) were synthesized under hydrothermal conditions. The crystal structure was solved by Patterson methods and was refined to Rw = 0.045 (a = 5.106(2) Å, b = 8.409(3) Å, c = 9.052(3) Å, α = 115.76(3)°, β = 90.09(3)°, γ = 106.01(3)°, space group P[unk], Z = 1). The two crystallographically different Cu atoms display “square planar” coordination; one of them has a fifth O atom neighbour with Cu – O at 2.183 Å. Two of the four phosphate groups per formula unit are connected by an extreme short (symmetry restricted) hydrogen bond with O … O at 2.388 Å.