Abstract
The crystal structures of three ammonium vanadium diphosphates have been investigated by means of X-ray powder diffraction including ab initio structure determination and Rietveld refinement. The compound NH4VP2O7crystallizes in the monoclinic space groupP21/cwitha=7.5149(2) Å,b=10.0384(3) Å,c=8.2422(2) Å,β=105.988(3)°, andZ=4. The two ammonium vanadyl diphosphates are (NH4)2VOP2O7, which has a tetragonal unit cell, space groupP4bm, a=8.3039(2) Å,c=5.7658(2) Å, andZ=2, andα-(NH4)2(VO)3(P2O7)2, which has an orthorhombic structure, space groupPnam,a=17.4973(4) Å,b=11.3655(3) Å,c=7.2769(2) Å, andZ=4. The first and the third structures consist of a framework of corner-sharing VOxpolyhedra and PO4tetrahedra and intersecting channels, whereas (NH4)2VOP2O7is arranged in layers built-up from VO5square pyramids and P2O7groups and the NH+4cations in between. The three NH4compounds are isostructural to the equivalent alkali vanadium diphosphates.
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