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

Autor: Romain Vauchy, Shun Hirooka, Masashi Watanabe, Masato Kato
Jazyk: angličtina
Rok vydání: 2023
Předmět:
Zdroj: Scientific Reports, Vol 13, Iss 1, Pp 1-8 (2023)
Druh dokumentu: article
ISSN: 2045-2322
DOI: 10.1038/s41598-023-29326-0
Popis: Abstract 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 close-packed spheres, respectively. We demonstrate the relevance of this “hybrid model” by combining Pauling’s first rule with experimental unit-cell parameters of fluorite and antifluorite-structured systems to revise the ionic radii of their constitutive species.
Databáze: Directory of Open Access Journals
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