Ba2PO4I, Sr2PO4I, and Pb2PO4I – A New Structure Type and Three of Its Representatives

Robert Haberkorn*, Jessica Bauer, Guido Kickelbick

Z. Anorg. Allg. Chemie 640/15 (2014) 3153-3158

Article first published online: 17 NOV 2014

DOI: 10.1002/zaac.201400221




The compound Pb2PO4I was synthesized via a solid state reaction under inert conditions. None of the known structure types of other compounds of the type M2(P,V,As,Cr)O4(F,Cl,Br,I) provided a similar pattern. Structure solution was carried out by evaluation of an X-ray diffractogram of polycrystalline powder using the methods simulated annealing and difference Fourier. Pb2PO4I crystallizes in the space group P21/c with the lattice parameters a = 9.0451(1) Å, b = 8.7593(1) Å, c = 8.5740(1) Å, and β = 111.128(1)°. The isotypic compounds Sr2PO4I and Ba2PO4I were synthesized, too. Their crystallographic structure was refined by Rietveld analysis. The structure of the three compounds is described and discussed.