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- W4205268144 abstract "We report on the high-pressure synthesis, crystal structure, and magnetic properties of four novel transition-metal oxyhydrides─Ba2NaVO3H3, Ba2NaVO2.4H3.6, Ba2NaCrO2.2H3.8, and Ba2NaTiO3H3─crystallizing in the double-perovskite structure. Notably, they have a higher hydride content in their anion sites (50%-63%) than known oxyhydrides with perovskite structures do (≤33%). Vanadium and chromium oxyhydrides exhibited Curie-Weiss magnetic susceptibilities with no magnetic ordering down to 2 K, which may be due to geometrical frustration in their face-centered lattices and weak magnetic interactions. Density functional theory calculations revealed that the transition metal-hydride bonding nature of the prepared oxyhydrides is more covalent than that observed for known perovskite oxyhydrides, as evidenced by the shorter bond lengths of the former. Remarkably, our double-perovskite oxyhydrides with a high hydride content may possess a bonding character intermediate between those of known oxyhydrides and hydrides." @default.
- W4205268144 created "2022-01-25" @default.
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- W4205268144 date "2022-01-16" @default.
- W4205268144 modified "2023-10-02" @default.
- W4205268144 title "High-Pressure Synthesis of Transition-Metal Oxyhydrides with Double-Perovskite Structures" @default.
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- W4205268144 doi "https://doi.org/10.1021/acs.inorgchem.1c03162" @default.
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