简介:Na5+xYAlxSi4-xO12superionicconductorsarerhombohedralR3cspacegroup.Theirstructuresarecharacterizedby(Alx/4Si1-x/4)O4tetrahedralinkedtoformpuckered(Al3xSi4-x)4O35ringsparalleltothebasalplaneofthehexagonalcell.Theserings,separatedbypartsofsodiumoxygenpolyhedron,arestackedtoformlargerigidcolumsparalleltocaxis.Thecolumnsarelinkedby[YO6]octahedratoformathree-dimensionalFrameworkwithlargechannelsbetweentherings.PartsofNaionslocatedinthecoresofthecolumnsaremovable.Intermsoftheconductionmechanism,theconcentrationofconductingNa+ionswascarriedoutandcomparedwiththeexperimentalresults.Itwasfoundthatthetheoreticalvaluesaccordwiththeexperimentalresults.