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Computer modeling of Zircon (ZrSiO4)—Coffinite (USiO4) solid solutions and lead incorporation: Geological implications

Abstract

The structure of zircon, ZrSiO4 is modeled using interatomic potentials. The uranium end-member, coffinite (USiO4) and intermediate solid solutions of zircon and coffinite (UxZr1–xSiO4) are then modeled, allowing the prediction of lattice parameters as a function of uranium concentration. Finally, possible structures resulting from the radioactive decay of uranium to lead in coffinite are considered.

Acceptance Date Sep 1, 2019
Publication Date Sep 1, 2019
Journal Stratigraphy and Timescales
Print ISSN 2468-5178
Pages 217 - 227
DOI https://doi.org/10.1016/bs.sats.2019.08.005
Keywords Zircon, Computer Modeling, Coffinite, Geological implications.
Publisher URL https://doi.org/10.1016/bs.sats.2019.08.005