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.

Citation

Jackson, & Montenari. (2019). Computer modeling of Zircon (ZrSiO4)—Coffinite (USiO4) solid solutions and lead incorporation: Geological implications. https://doi.org/10.1016/bs.sats.2019.08.005

• 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