摘要
In this paper, the discrepancy between lattice energies theoretically calculated and those experimentally determined for the ionic crystals which contain ions having non-inert gas configuration is discussed with the Fajans' concept of ionic polarization.Thus, the actual lattice energy U is expressed as the sum of the purely ionic lattice energy Ui calculated from Kapustinskii equation and the polarization energy Up;U=Ui+Up An empirical equation is proposed to calculate ionic polarization energy;Up=α Z^*2/r+bα+c where Z^*z/r is the polarizing power of the cation,a is the polarizability of the anion,ar b and c are the empirical constants which depend on the type of the compounds concerned.Using above expressions,lattice energies of 317 non-standard type erystalline compounds are caleulated and the results well agree with the experimental values and are better than the ealeulations by other authors.
In this paper, the discrepancy between lattice energies theoretically calculated and those experimentally determined for the ionic crystals which contain ions having non-inert gas configuration is discussed with the Pajans' concept of ionic polarization. Thus, the actual lattice energy U is expressed as the sum of the purely ionic lattice energy Ui calculated from Kapustinskii equation and the polarization energy Up;U = Ui + UpAn empirical equation is proposed to calculate ionic polarization energy;where-is the polarizing power of the cation, α is the polarizability of the anion,a, b and c are the empirical constants which depend on the type of the compounds concerned.Using above expressions, lattice energies of 317 non-standard type crystalline compounds are calculated and the results well agree with the experimental values and are better than the calculations by other authors.
出处
《地球化学》
CAS
1973年第4期276-285,共10页
Geochimica
