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Influence of ion site occupancies on the unit cell parameters, specific volumes, and densities of M8(AlSiO4)6X2 sodalites where M = Li, Na, K, Rb, and Ag and X = Cl, Br, and I

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Abstract

This paper discusses the effects of composition on the unit cell parameter (a), unit cell volume (V), specific volume (v), and density (ρ) of various sodalites including \({M}_{8}^{+}{\left({\mathrm{AlSiO}}_{4}\right)}_{6}{\mathrm{Cl}}_{2}\) (M = Li, Na, K, Rb, and/or Ag) and \({\mathrm{Na}}_{8}{\left({\mathrm{AlSiO}}_{4}\right)}_{6}{X}_{2}^{-}\) (X = Cl, Br, and/or I). Compositional models were developed, and the results show that the models are successful at predicting a, V, and v (and thus ρ) within the compositional range available in the literature. Discussion is included on the correlation between the ionic radii of the alkali metals and halides in the sodalite β-cages and the measured values of a, V, v, and ρ. The data show linear increases in a and ρ with increases in the average ionic radii of the \({M}^{+}\) and \({X}^{-}\) constituents (data for v show a linear decrease).

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modified from a previous figure by Riley et al. (2016b) and reprinted with permission. ©2016 Elsevier

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Acknowledgements

Pacific Northwest National Laboratory (PNNL) is operated by Battelle Memorial Institute for the DOE under contract DE-AC05-76RL01830. This work was supported by the DOE Office of Nuclear Energy (DOE-NE).

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  1. Pacific Northwest National Laboratory, Richland, WA, 99354, USA

    Brian J. Riley, Jacob A. Peterson, Saehwa Chong & John D. Vienna

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  1. Brian J. Riley
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  2. Jacob A. Peterson
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  4. John D. Vienna
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Correspondence to Brian J. Riley.

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Riley, B.J., Peterson, J.A., Chong, S. et al. Influence of ion site occupancies on the unit cell parameters, specific volumes, and densities of M8(AlSiO4)6X2 sodalites where M = Li, Na, K, Rb, and Ag and X = Cl, Br, and I. Phys Chem Minerals 48, 3 (2021). https://doi.org/10.1007/s00269-020-01124-4

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