Refinement of the structure of ScPO4 by powder diffraction by three Rietveld programs

Crystal data and results of structure refinements for ScPO4 are reported. The material is tetragonal, I41/amd, with a = 6.5787(2) Å, c = 5.7963(2) Å, Vd = 250.86(2) Å3, Z = 4, Dx = 3.704 Mg/m3. Intensity data were obtained from a Stoe transmission type diffractometer equipped with a position sensitive detector. CuKα1 radiation, λ = 1.5405981 Å was employed. Silicon, SRM 640b (a = 5.43094 Å) was used as an internal standard. The structure was refined by the Rietveld method by aid of three different programs.