The crystal structure of ε-VOPO4

The crystal structure of epsilon-VOPO4 was determined in the space group Cc from X-ray powder diffraction data using a rigid body approach. The resulting structure is compared to a recently published, slightly different structure model (space group P2(1)/n) using Rietveld refinement. It was found that the new Cc model consistently yields-a better fit to the observed data and exhibits a less distorted, more stable geometry. The crystal structure of epsilon-VOPO4 is discussed in comparison to beta-VOPO4, monoclinic VPO4 center dot H2O, and other related structures. (c) 2006 Elsevier SAS. All rights reserved.