Crystal structure of Pauflerite

We have synthetized and fully characterized the spin ½ 1D- Heisenberg magnet β-VOSO4. However, we find disagreements between the measured lab x-ray and neutron ToF patterns (taken at 10K) and the published room temperature atomic structure. These disagreements are either due to a distortion of the lattice or to the presence of impurities. Either way, we need to clarify this to fully understand the structure and magnetism in our samples. Here we propose to initially take the diffraction pattern of our powder sample as a function of temperature (10K-300K) and if necessary, complement this with single crystal diffraction patterns.