Rietveld refinement of the langbeinite-type phosphate K2Ni0.5Hf1.5(PO4)3

Abstract

Polycrystalline potassium nickel(II) hafnium(IV) tris(orthophosphate), a langbeinite-type phosphate, was synthesized by a solid-state method. The three-dimensional framework of the title compound is built up from two types of [MO6] octahedra [the M sites are occupied by Hf:Ni in ratios of 0.754 (8):0.246 (8) and 0.746 (8):0.254 (8), respectively] and [PO4] tetrahedra are connected via O vertices. The K+ cations are located in two positions within large cavities of the framework, having coordination numbers of 9 and 12. The Hf, Ni and K sites lie on threefold rotation axes, while the P and O atoms are situated in general positions.

Keywords

• powder diffraction
• langbeinite structure type
• multimetal phosphate
• crystal structure