Dear XAS fellows: I have to fit EXAFS data of a nanoparticle colloidal suspension. TEM and NMR data indicate that I have nanoparticles of V(CO)_6 (vanadium hexacarbonyl). The system is orthorhombic, space group Pnma (Nr. 62), and I know the nominal values for the lattice parameters. However, I need the different atomic positions/coordinates to enter in ATOMS. Usually I get such information from a CIF (Crystallographic Information File) card. But in this case, I didn´t find it in the open data banks. Is anyone out there that could help me? Cheers, Ismael. PS: A similar structure/material would also help (like Mo(CO)_6)! -- ************************************ * Ismael Leandro Graff * * * * Universidade Federal do Paraná * * Departamento de Física, CP 19044 * * 81531-990, Curitiba, Brazil. * * Tel (office): +55 41 3361 3278 * * Tel (Lab): +55 41 3361 3427 * * Fax: +55 41 3361 3418 * * http://fisica.ufpr.br/graff * ************************************