Crystal Structure of Li<SUB>0.50</SUB>Co<SUB>0.25</SUB>TiO(PO<SUB>4</SUB>)

Electronic structure and magneto-optic Kerr effect in ferromagnetic titanium oxyphosphates Li0.50Co0.25TiO(PO4): An ab-initio study

“…1 [8] show that this compound has a crystal structure corresponding to monoclinic symmetry and space group P21/c. The experimental lattice parameters and the atomic position were given by Belmal et al [8]. In the experimental paper it is mentioned that Co atoms have a fractional occupancy 0.5.…”

“…Also the electronic charge density between Ti(1.54) O, shows more strong covalent bonding. In Tables 1 and 2 we have listed the bond lengths and angles for some selected atoms for the ferromagnetic Li 0.50 Co 0.25 TiO(PO 4 ) in comparison with the experimental data [8] Table 2 one could notice that in the ferromagnetic Li 0.50 Co 0.25 TiO(PO 4 ) the O5 and O2 atoms exchange their positions and hence the bond angles of O3 Ti2 O5 and O2 Ti2 O3 in comparison with the experimental data [8] and the theoretical results [11]. We should emphasize that the Ti O complex crystals may be also very promising for nonlinear optics as a result of different cationic substitution.…”

“…Belmal et al [8] have studied the effect of substitution of a monovalent ion by a divalent ion. They found that this substitution leads to a new series of titanium oxyphosphates.…”