Dear All, I have a philosophic question for you: the structure obtained by NPD are better than the ones found by XRPD?
I explain a little bit more my question, I studied a MgAlFeO4 spinel both by NDP and XRPD from RT to 1000°C. The O coordinate it is different for two data set (0.2581 vs.0.25953). The found error on the oxygen coordinate is about 10-5 and 10-4 for NPD and XRPD data respectively. The coordinate calculated from cation partitioning and cation radii is similar to the XRPD result. At the moment I did not found a justification of this and I do not know which result is the right one. Do you have any suggestion? Thank you Davide
