Re: U iso and U aniso

Dear Ana, this is described in Fischer, R. X. & Tillmanns, E. (1988): "The equivalent isotropic displacement factor". Acta Crystallographica Section C-Crystal Structure Communications 44, 775-776. Best regards, Johannes Ana Isabel Becerro Nieto schrieb: Dear All, How can I convert the “an

Re: U iso and U aniso

Dear Ana, I know that the Gretep program (Grenoble Thermal Ellipsoids Plot Program)can make this conversion. Best regards, Mario Macías Univeersidad Industrial de Santander Colombia Dear All, > > > > How can I convert the “anisotropic temperature factors” (uij) into an > “isotropic temperatu

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 Se

Program for checking symmetry

Dear all, Recently, I have refined the structure using powder data. In each asymmetric unit of Pmc21, there are two chemically similar but crystallographically different complexes. The center of these two complexes is rougly around 0,0,0.75. Therefore, the true space group may not be Pmc2