NEW NASICON-TYPE PHOSPHATE:Co0.5Ti2(PO4)3: II. SIMULATION OF OPTICAL AND MAGNETIC PROPERTIES

摘要

The optical (energy level scheme) and magnetic properties (paramagnetic susceptibility as a function of the temperature and g values) of the polycrystalline Co0.5Ti2(PO4)3 were simultaneously reproduced by use of a crystal field theory involving a set of Fk, zeta, free ion, and Bkq crystal field parameters. The crystal field parameters calculated from the structure are in fair agreement with the experimental ones and permit us to assign R32 as the space group of the crystal structure. 28 refs.