FullProf problem in R3m

Dear All, I am trying to refine a rombohedral phase with space group R3m. The problem comes when I type the space group and cell parameters in FullProf and try to fit the powder pattern – the program does not generate the powder XRD reflections on the right 2 theta positions (no match between the

FullProf problem R3m

Dear All, thank you very much for your suggestions and comments. I use space group R3m with rombohedral axis and the note that “At present rhombohedral space groups must be given in the hexagonal description.” seems to be the right solution of the problem! Many thanks

FullProf problem

Dear All, When using FullProf I am facing the following error message: Singular matrix!!, problem with Scale_ph_pat1 no.:.. This happened when I try the first run for Rietveld refinement. Has somebody faced a problem like that and what could be the right solution? Many thanks in advance. __

FullProf problem

Dear All, I am trying to refine the structure of a porous vanadoslicate, however FullProf does not recognize the scattering coefficient of V4+. Does somebody know how I could modify the pcr file in order to work with V4+? Many thanks in davance, Stanislav __

peak's intensity

Dear All, Using FullProf I am trying to refine a rombohedral phase. However, in the present programe version (2005) rombohedral space group must be given with hexagonal description, which is my starting model. The atom coordinates and unit cell parameters of the hexagonal converted rombohedral str

FullProf - scattering coefficients for P+5

Dear All, Using FullProf I am trying to refine the structure of a vanado-phosphate, however the programme does not find the scattering coefficient of P+5. I will be very grateful if somebody knows how could be included that coefficient in the pcr file. Many thanks in advance, Stanislav _

Different atomic coordinates

Dear All, I am trying to refine a phase that has a structure analogue with different chemical composition. The problem is that using the published atomic coordinates one cannot get a proper refinement (mismatch in the diffraction intensities). When I process the data and solve the structure by

Different atomic coordinates

Dear All, thank you very much for your comments. In fact my material is hexagonal. A study on the systematic absences did not allow a unique assignment of the space group and six possible solutions were determined: P63mc (No. 186), P-62c (No. 190), P63/mmc (No. 194), P3c1 (No. 158) and P-31c (