The crystal structure of CuNH4PO4 center dot H2O from X-ray powder diffraction data

The crystal structure of monoclinic CuNH4PO4. H2O has been determined from X-ray powder diffraction data. The space group is P2(1)/c. The cell dimensi ons are a = 8.6676(1) Angstrom, b = 7.5312(4) Angstrom, c = 7.4054(4) Angst rom, beta-94.508(3)degrees Z = 4. The structure of CuNH4PO4. H2O was solved ab initio using EXPO program. The structure refinement has been carried ou t by FULLPROF package. The final R-Bragg value was 3.4%. The compound has a layered structure. Copper atoms link PO4 tetrahedra and water molecules to layers which are parallel with yz plane of unit cell. Ammonium cations are in the interlayer space and couple these layers by N-H ... O hydrogen bond s.