Crystal-field analyis of Mn5+ (3d2) in Sr5 (PO4)3Cl

Crystal field parameters and energy level structure of the MnO43− tetroxo anion in Li3PO4, Ca2PO4Cl and Sr5(PO4)3Cl crystals

“…For the rest the present results do not agree with the analysis carried out in Ref. [25] using a C 4 CF Hamiltonian, since C 4 is not a subgroup of the T d symmetry group.…”

“…The B and C Racah parameters, accounting for the energy separations between the LS terms, are reported in Table 2. As expected, their values are significantly lower than that of the free Mn 5+ ion (B ¼ 1224 cm À1 [25]), in consequence of the nephelauxetic effect. The results of the energy levels calculations are listed in Table 3, whereas in Figs.…”

“…[9] is at 13,450 cm À1 (with 16,000 cm À1 as the calculated value). On the other hand Capobianco et al [25] indicated 14,960 cm À1 as the theoretical and experimental value for this transition, without showing the spectra. From these considerations, we think it reasonable to assign the sharp line at 13,450 cm À1 to the no-phonon origin of the 3 T 1 ( 3 F)' 3 A 2 band, and the 1 A 1 ' 3 A 2 transition to a Fano antiresonance giving rise to the sharp dip at about 15,000 cm À1 .…”

Color of Mn(V)-Substituted Apatites A10((B, Mn)O4)6F2, A=Ba, Sr, Ca; B=P, V

“…This "gure exhibits the di!erent bands associated with the A PT transitions. They are assigned according to literature results on similar Mn(V)-doped compounds such as Sr (PO ) Cl (12), Sr (VO ) F (28), and Ca (PO )Cl (29). As expected, the spectrum is dominated by the A PT (F) transition localized in the visible range.…”

“…This could lead to their application as inorganic pigments (1,10,19). The optical properties of several Mn(V)-doped phosphates or vanadates, such as Sr (PO ) Cl (5,11,12), Ba (PO ) Cl (1,2,4,13), Ca (VO )Cl (1,4,13,14), Li PO (4, 15) 2 , have already been studied, for the most part using #uorescence spectroscopy and will serve here as references for the assignment of the Mn(V) optical transitions.…”