Determination of iron sites and the amount of amorphization in radiation-damaged titanite (CaSiTiO5)

E.K.H. Salje, D.J. Safarik, R.D. Taylor, M.P. Pasternak, K.A. Modic, L.A. Groat, J.C. Lashley, Journal of Physics: Condensed Matter 23 (2011).

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Abstract
Iron is a ubiquitous impurity in metamict (radiation-damaged and partially amorphized) materials such as titanite (CaSiTiO5). Using 57Fe Mössbauer spectroscopy we find that iron in metamict titanite is partitioned between amorphous and crystalline regions based on valence. Trivalent iron exists in the crystalline titanite matrix whereas divalent iron exists almost exclusively in radiation-amorphized regions. We find that the relative abundances of the oxidation states correlate with the volume fraction of amorphous and crystalline regions. Our data also show that oxidation of iron proceeds along with the recrystallization of the amorphized regions. Recrystallization is confirmed to occur over the range 700 °C < T < 925 °C, and no further structural changes are observed at higher temperatures. It is surprising that our Mössbauer measurements show divalent iron to be surrounded by titanite with a high degree of short-range structural order in the amorphized regions. This observation is fundamentally different from other metamict materials such as zircon (ZrSiO4), where amorphized regions show no short-range order.
Publishing Year
Date Published
2011-02-21
Journal Title
Journal of Physics: Condensed Matter
Volume
23
Issue
10
Article Number
105402
IST-REx-ID

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Salje EKH, Safarik DJ, Taylor RD, et al. Determination of iron sites and the amount of amorphization in radiation-damaged titanite (CaSiTiO5). Journal of Physics: Condensed Matter. 2011;23(10). doi:10.1088/0953-8984/23/10/105402
Salje, E. K. H., Safarik, D. J., Taylor, R. D., Pasternak, M. P., Modic, K. A., Groat, L. A., & Lashley, J. C. (2011). Determination of iron sites and the amount of amorphization in radiation-damaged titanite (CaSiTiO5). Journal of Physics: Condensed Matter, 23(10). https://doi.org/10.1088/0953-8984/23/10/105402
Salje, E K H, D J Safarik, R D Taylor, M P Pasternak, Kimberly A Modic, L A Groat, and J C Lashley. “Determination of Iron Sites and the Amount of Amorphization in Radiation-Damaged Titanite (CaSiTiO5).” Journal of Physics: Condensed Matter 23, no. 10 (2011). https://doi.org/10.1088/0953-8984/23/10/105402.
E. K. H. Salje et al., “Determination of iron sites and the amount of amorphization in radiation-damaged titanite (CaSiTiO5),” Journal of Physics: Condensed Matter, vol. 23, no. 10, 2011.
Salje EKH, Safarik DJ, Taylor RD, Pasternak MP, Modic KA, Groat LA, Lashley JC. 2011. Determination of iron sites and the amount of amorphization in radiation-damaged titanite (CaSiTiO5). Journal of Physics: Condensed Matter. 23(10), 105402.
Salje, E. K. H., et al. “Determination of Iron Sites and the Amount of Amorphization in Radiation-Damaged Titanite (CaSiTiO5).” Journal of Physics: Condensed Matter, vol. 23, no. 10, 105402, IOP Publishing, 2011, doi:10.1088/0953-8984/23/10/105402.

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