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

Vauchy, R.; 廣岡 瞬; 渡部 雅; 加藤 正人

Scientific Reports (Internet), 13, p.2217_1 - 2217_8, 2023/02

https://doi.org/10.1038/s41598-023-29326-0

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.