<div dir="rtl"><div dir="rtl"><blockquote style="font-size:16px" type="cite"><div dir="rtl"><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Dear everyone</span></div><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">I try to do sequential refinement for Sc-doped TiO2 while in-situ heated at 25-1200C temperature range, total of 33 histograms.</span></div><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">As a function of temperature I have different lattice parameters, ratio of anatase / rutile and crystallite size/microstrains.</span></div><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">I tried to refine them at that sequence usin GSAS-II.</span></div><p style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN"> </span></p><p style="line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">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:</span></p><p style="line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Invalid metric tensor</span></p><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Cell/Dij refinement not advised</span></div><p style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN"> </span></p><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Sometimes I can't get the Sequential results, although I "see" that the DXX have different values.</span></div><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Even if I manage to get the results on table, I can't get them in graph as lattice parameters (instead I get DXX)</span></div><p style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN"> </span></p><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed;direction:ltr" dir="LTR"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Best regards, <br></span></div><div style="margin-top:0cm;margin-bottom:0pt;line-height:normal;unicode-bidi:embed" dir="ltr"><span style="font-family:"times new roman",serif;font-size:10pt" lang="EN">Victor<br></span></div></div></blockquote></div></div>