Structure electronic and ionic conductivity study versus Ca content in Ca10−xSrx(PO4)6F2 apatites

Substitution effect on the crystallographic structure in Ca10−xSrx(PO4)6F2 solid solution are studied by X-ray diffraction patterns and Rietveld refinements. Full potential electronic structure calculations based on LCAO (linear combination atomic orbital) are also performed using the obtained crystallographic parameters. DOS modification and the charge transfer are estimated versus the calcium content. According to the complex impedance method, ionic conductivity changes are explained.