The crystal structure of ε-VOPO4

The crystal structure of ε-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 P21/nP21/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 ε-VOPO4 is discussed in comparison to β-VOPO4, monoclinic VPO4⋅H2O, and other related structures.

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