Dear everyone I try to do sequential refinement for Sc-doped TiO2 while in-situ heated at 25-1200C temperature range, total of 33 histograms. As a function of temperature I have different lattice parameters, ratio of anatase / rutile and crystallite size/microstrains. I tried to refine them at that sequence usin GSAS-II.
After working on lattice parameters (DXX, hydrostatic/elastic strain terms) I tried to refine the ratio of anatase / rutile and/or crystallite size/microstrains and got a "Sequential refinement error" message: Invalid metric tensor Cell/Dij refinement not advised Sometimes I can't get the Sequential results, although I "see" that the DXX have different values. Even if I manage to get the results on table, I can't get them in graph as lattice parameters (instead I get DXX) Best regards, Victor
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