Breaking the hard-sphere model with fluorite and antifluorite solid solutions

蛍石型結晶及び逆蛍石型結晶の固溶体における剛体球モデルの改良

Vauchy, R.  ; 廣岡 瞬 ; 渡部 雅  ; 加藤 正人   

Vauchy, R.; Hirooka, Shun; Watanabe, Masashi; Kato, Masato

Using the hard-sphere model with the existing tabulated values of ionic radii to calculate the lattice parameters of minerals does not always match experimental data. An adaptation of this crystallographic model is proposed by considering the cations and anions as hard and soft spheres, respectively. We demonstrate the relevance of this hybrid model with fluorite and antifluorite-structured systems.