Synthesis and crystal structure of zirconium chloromethylphosphonate

Abstract

The crystal structure of zirconium chloromethylphosphonate, Zr(O3PCH2Cl)2, has been solved and refined using powder diffraction data. The crystals belong to the space group P21/c with a= 9.3402(7)Å, b= 5.3926(3)Å, c= 21.374(2)Å and β= 107.892 (5)°. The reliability factors are Rwp= 0.155, Rp= 0.115, RF= 0.04 and expected Rwp= 0.035. The layer arrangement in the structure resembles very closely that in α-zirconium phosphate. The chlorine atoms on both the methyl groups are disordered, in such a way that the disordered positions are displaced along the b axis of the crystal.