using Zero

Dear all, I am using Si as internal standard to calibrate my pattern. Should I refine the "Zero error" of the diffractometer if I am using the calibrated pattern? Thanks a lot, Ana Dra. Ana Isabel Becerro Instituto de Ciencia de Materiales de Sevilla CSIC-US --- El s

Fixing a X-ray diffractometer Power supply

Dear All, I would be very grateful if you could tell me the contact details of any European company able to fix a power supply of an X-ray Diffractometer X´Pert Pro (Panalytical) ref: XRC-60-60N-PAN-L17-C. Thank you very much in advance, Dr. Ana Isabel Becerro Materials Science Institute

U iso and U aniso

Dear All, How can I convert the “anisotropic temperature factors” (uij) into an “isotropic temperature factor” (Uiso)? Thank you! ana Dr. Ana Isabel Becerro Instituto de Ciencia de Materiales de Sevilla - Dpto. Química Inorgánica (CSIC-US) C/ Américo Vespucio, 49 41092

Uiso constraints

Dear all,   I would like to know whether GSAS is able to constraint the Uiso value so that it will be always bigger than zero.   Thank you very much,   ana   Dr. Ana Isabel Becerro Departamento Química Inorgánica Instituto de Ciencia de Materiales de Sevilla Universidad de

coorelation matrix

Dear all,   I would be very grateful if you could tell me how to see the correlation matrix in a Rietlveld refinement with GSAS.   Thanks a lot!   ana   Dr. Ana Isabel Becerro Departamento Química Inorgánica Instituto de Ciencia de Materiales de Sevilla Universidad de Sevilla

reliablity of conventional XRD data

Dear all, How reliable is a structure refinement (including atomic positions and temperature factors) from an X-ray diffraction pattern recorded on a Rigaku D/max X-ray powder diffractometer? Thank you very much! ana Dr. Ana Isabel Becerro Departamento Química Inorgánica Instituto de

Site occupation factor in atoms

Dear All, is there any way of defining the "site occupation factor" of an atom in the software "ATOMS"?? Gracias!! ana -- Ana Isabel Becerro ICMSE (CSIC) Avda. Américo Vespucio s/n 41092 Sevilla (Spain) Tel: 34-95 4489576 Fax: 34 95 4460665

GSAS on layered clay minerals

calys show a preferred orientation along the 001 planes due the layered nature of the mineral. How should I use the "Preferred orientation option" in GSAS? I cannot find any explanation in the GSAS manual. Thank you very much and greetings from Sevilla, ana -- Ana Isabel Bec