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The crystal structure of monoclinic CuNH 4 PO 4  · H 2 O has been determined from X-ray powder diffraction data. The space group is P2 1 /c. The cell dimensions are a=8.6676(1) Å, b=7.5312(4) Å, c=7.4054(4) Å, β=94.508(3)o, Z=4. The structure of CuNH 4 PO 4  · H2O was solved ab initio using EXPO program. The structure refinement has been carried out by FULLPROF package. The final R Bragg value was 3.4%. The compound has a layered structure. Copper atoms link PO 4 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 bonds.

The crystal structure of CuNH 4 PO 4 · H 2 O from X-ray powder diffraction data