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    Crystal structure and thermal expansion of Ta2O5 from neutron diffraction

    Matthew C. Brennan*, Sven C. Vogel, and Blake T. Sturtevant

    • *Contact author: mcbrennan@lanl.gov

    Phys. Rev. Materials 9, 073605 – Published 7 July, 2025

    DOI: https://doi.org/10.1103/j8lr-r925

    Abstract

    Tantalum pentoxide (Ta2O5) is a component of technologies ranging from photographic lenses to medical implants. Despite more than six decades of interest, however, there is no consensus on the crystal structure of Ta2O5. Here, we report the results of neutron diffraction experiments on Ta2O5 powders at temperatures up to 1000∘C. Because neutron diffraction is sensitive to the positions of O atoms in the presence of heavy elements, our results provide strong evidence that the orthorhombic LSR structure can account for experimental observations better than any other proposal in the literature. We also determine the anisotropic crystallographic thermal expansion parameters of Ta2O5, which are important for modeling the performance of Ta2O5-bearing technologies.

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