RE: High temperature PXRD fitting in TOPAS
Dear shishir, You probably would like to take a look a the following (open access) paper published last February in Journal of Applied Crystallography: http://journals.iucr.org/j/issues/2007/01/00/issconts.html Hope this helps. Leo Dr. Leopoldo Suescun Postodoctoral Appointee Materials Science Division - Bldg 223 - Rm D217 Argonne National Laboratory 9700 S. Cass Ave., Argonne, IL 60439 Phone: 1 (630) 252 9760 Fax: 1 (630) 252 URL: http://www.msd.anl.gov/groups/nxrs/personnel/suescun/index.html _ From: sisir ray [mailto:[EMAIL PROTECTED] Sent: Thursday, November 15, 2007 7:22 PM To: rietveld_l@ill.fr Subject: High temperature PXRD fitting in TOPAS Hi, I have got high temperature Powder xrd data (from lab xray source) in the range of 30 ~1000 C . But i am not sure how to fit them correctly in TOPAS as i dont know where to put the temperature information. Any kind of suggestion is really appriciated. -- thankyou, regards shishir BEGIN:VCARD VERSION:2.1 N:Suescun;Leopoldo FN:Leopoldo Suescun ([EMAIL PROTECTED]) ORG:Argonne National Laboratory - Materials Science Division TITLE:Postdoctoral Appointee TEL;WORK;VOICE:+1 (630) 252-9760 TEL;HOME;VOICE:+1 (630) 910-1562 TEL;WORK;FAX:+1 (630) 252- ADR;WORK:;;9700 S. Cass Ave.;Argonne;Illinois;60439;USA LABEL;WORK;ENCODING=QUOTED-PRINTABLE:9700 S. Cass Ave.=0D=0AArgonne, Illinois 60439=0D=0AUSA URL;WORK:http://www.msd.anl.gov/groups/nxrs/people/suescun.html EMAIL;PREF;INTERNET:[EMAIL PROTECTED] REV:20050630T182807Z END:VCARD
Re: High temperature PXRD fitting in TOPAS
Hi! I guess you have several diffractograms, don't you? you can work one by one your data, but first you must have data about the configuration of diffractometer or experimental data of an standard material like LaB6 and fit. after that you can replace the experimental data and fit. The temperature affects B ( thermal parameters), it is my suggestion, best ishes Miguel Hesiquio - Original Message - From: sisir ray To: rietveld_l@ill.fr Sent: Thursday, November 15, 2007 5:22 PM Subject: High temperature PXRD fitting in TOPAS Hi, I have got high temperature Powder xrd data (from lab xray source) in the range of 30 ~1000 C . But i am not sure how to fit them correctly in TOPAS as i dont know where to put the temperature information. Any kind of suggestion is really appriciated. -- thankyou, regards shishir
RE: High temperature PXRD fitting in TOPAS
Assuming that your sample is stable over the temperature range, then the temperature will only affect the cell paramaters. (and maybe crystallite size) Allowing them to refine should be enough to allow for good fits. Cheers Matthew Matthew Rowles CSIRO Minerals Box 312 Clayton South, Victoria AUSTRALIA 3169 Ph: +61 3 9545 8892 Fax: +61 3 9562 8919 (site) Email: [EMAIL PROTECTED] _ From: sisir ray [mailto:[EMAIL PROTECTED] Sent: Friday, 16 November 2007 12:22 To: rietveld_l@ill.fr Subject: High temperature PXRD fitting in TOPAS Hi, I have got high temperature Powder xrd data (from lab xray source) in the range of 30 ~1000 C . But i am not sure how to fit them correctly in TOPAS as i dont know where to put the temperature information. Any kind of suggestion is really appriciated. -- thankyou, regards shishir
