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Ta–O coordination polyhedra arrangements in LT(o)(top), O2 (bottom left), and H (bottom right).
Example of bond network (O1). Numbers correspond to the deviations from 180°.
Lattice contribution to the dielectric constant integrated over the IR range of frequencies.
Supercell parameters; volume per formula unit; energy per formula unit relative to LT(O); static and high-frequency dielectric constant.
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