A novel phosphomolybdate structure: crystal structure of [NH4]5[(MoO3)5(PO4)(HPO4)],3H2O

Abstract
The crystal structure of the title compound has been studied by X-ray diffraction methods from counter data. Crystals are orthorhombic, space group P212121, with parameters a= 14·699(2), b= 9·725(1), c= 18·201(2)Å. The structure was solved by direct methods and refined by full-matrix least squares to R 0·029 for 4·808 observed reflections. The anion consists of a ring of five distorted MoO6 octahedra. Of the five links in the ring, four involve shared edges, and the fifth a shared apex of MoO6 octahedra. The crown thus formed is capped on one face by PO4 3– and on the other by HPO4 2–. The three phosphate oxygen atoms shared by the MoO6 octahedra are of two types : one type (two on each phosphate) consists of oxygen atoms bridging two molybdenum atoms, and the other, the third phosphate oxygen, is shared by only one molybdenum atom. The phosphomolybdate anions are held together by a network of strong hydrogen bonds.

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