On the synthetic preparation and lattice structure of thorite

Sinha, D.P.; Prasad, Rameshwar

doi:10.1016/0022-1902(73)80343-4

Cited by 12 publications

(2 citation statements)

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“…Figure 1 shows the DFT-calculated volume of substituted-zircon unit cell relative to that of pure zircon as a function of impurity concentration C D for each impurity and a vacancy defect. The calculated unit cell volumes of solid solution end-members USiO 4 , ThSiO 4 , and HfSiO 4 are in very good agreement with experimental values [36][37][38][39]. Note that for the Ti impurity, the solid-solution end-member TiSiO 4 was modeled by a hypothetical system featuring the same lattice structure as zircon.…”

Section: Structural Propertiessupporting

confidence: 74%

Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Sheremetyeva

Cherniak²,

Watson³

et al. 2019

J. Phys.: Condens. Matter

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Density-functional theory was used to investigate the effect of atomic impurities on the structural and vibrational properties of zircon (tetragonal ZrSiO 4 ). Atomic impurities considered include radioactive elements U and Th, as well as Hf, Sn, and Ti, substituted on the Zr-site. Using the supercell approach to model a range of substitutional concentrations, impurities were found to cause changes in the volume of the host lattice. This effect was shown to be partially equivalent to the application of a lattice strain. This quantum-based finding is in excellent agreement with the heuristic lattice-strain model traditionally employed in the geosciences to account for the compatibility of impurities in host lattices. Vibrational properties of substituted zircon were also investigated in order to provide a quantum mechanical understanding of Raman spectroscopy measurements on natural zircon. The computational analysis reproduces existing experimental data reported for uranium-substituted zircon and provides general predictive trends for other impurities including Th, Hf, Sn, and Ti. The insights gained by this study regarding the Raman signature of the presence of substitutional impurities set the groundwork for future study of the more substantial lattice disruptions that characterize radiation damage due to alpha decay in zircon.

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Section: Structural Propertiessupporting

confidence: 74%

Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Sheremetyeva

Cherniak²,

Watson³

et al. 2019

J. Phys.: Condens. Matter

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“…The protocol proposed by Frondel and Collette consisted of the precipitation of a gel containing ThO 2 and SiO 2 followed by its thermal conversion using hydrothermal conditions (typically between 240 and 800 °C) . However, thorite was also formed at lower temperatures (typically for T > 180 °C) . The data reported by Frondel and Fuchs underlined the role of several parameters in the synthesis of thorite, such as the effect of the temperature and pH and the addition of complexing ion species.…”

Section: Introductionmentioning

confidence: 91%

Multiparametric Study of the Synthesis of ThSiO₄ under Hydrothermal Conditions

et al. 2018

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A multiparametric study of the hydrothermal synthesis of ThSiO, thorite, was performed with the aim of determining the most efficient conditions to form single-phase samples. Among the experimental parameters examined, significant effects were found for the concentration of reactants in the starting mixture, pH of the reactive media, and temperature of the hydrothermal process. Such parameters affected both the rate of formation of thorite and the morphology of the final products synthesized. Precipitation of pure ThSiO was obtained over a wide range of pH on going from C = 0.3 mol L to pH 9.1 with a yield of over 95%. Temperatures higher than 160 °C favor the formation of thorite. Finally, thorium and silicon concentrations above 2.1 × 10 mol L are required to obtain pure thorium silicate.

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ChemInform Abstract: ON THE SYNTHETIC PREPARATION AND LATTICE STRUCTURE OF THORIT

Benson¹,

Gee²,

Nathans³

1973

Chemischer Informationsdienst

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On the synthetic preparation and lattice structure of thorite

Cited by 12 publications

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Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Multiparametric Study of the Synthesis of ThSiO₄ under Hydrothermal Conditions

ChemInform Abstract: ON THE SYNTHETIC PREPARATION AND LATTICE STRUCTURE OF THORIT

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On the synthetic preparation and lattice structure of thorite

Cited by 12 publications

References 0 publications

Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Effect of substitutional impurities on vibrational properties of zircon: a first-principles study

Multiparametric Study of the Synthesis of ThSiO4 under Hydrothermal Conditions

ChemInform Abstract: ON THE SYNTHETIC PREPARATION AND LATTICE STRUCTURE OF THORIT

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Multiparametric Study of the Synthesis of ThSiO₄ under Hydrothermal Conditions