Breaking the hard-sphere model with fluorite and antifluorite solid solutions.
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ABSTRACT:
SUBMITTER: Vauchy R
PROVIDER: S-EPMC9908875 | biostudies-literature | 2023 Feb
REPOSITORIES: biostudies-literature
Publications
Breaking the hard-sphere model with fluorite and antifluorite solid solutions.
Vauchy Romain R Hirooka Shun S Watanabe Masashi M Kato Masato M
Scientific reports 20230208 1
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 th ...[more]
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