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- W3208552190 abstract "A polycrystalline iridate Li8IrO6 material was prepared via heating Li2O and IrO2 starting materials in a sealed quartz tube at 650 °C for 48 h. The structure was determined from Rietveld refinement of room-temperature powder neutron diffraction data. Li8IrO6 adopts the nonpolar space group R3̅ with Li atoms occupying the tetrahedral and octahedral sites, which is supported by the electron diffraction and solid-state 7Li NMR. This results in a crystal structure consisting of LiO4 tetrahedral layers alternating with mixed IrO6 and LiO6 octahedral layers along the crystallographic c-axis. The +4 oxidation state of Ir4+ was confirmed by near-edge X-ray absorption spectroscopy. An in situ synchrotron X-ray diffraction study of Li8IrO6 indicates that the sample is stable up to 1000 °C and exhibits no structural transitions. Magnetic measurements suggest long-range antiferromagnetic ordering with a Néel temperature (TN) of 4 K, which is corroborated by heat capacity measurements. The localized effective moment μeff (Ir) = 1.73 μB and insulating character indicate that Li8IrO6 is a correlated insulator. First-principles calculations support the nonpolar crystal structure and reveal the insulating behavior both in paramagnetic and antiferromagnetic states." @default.
- W3208552190 created "2021-11-08" @default.
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- W3208552190 date "2021-11-04" @default.
- W3208552190 modified "2023-09-30" @default.
- W3208552190 title "Iridate Li<sub>8</sub>IrO<sub>6</sub>: An Antiferromagnetic Insulator" @default.
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- W3208552190 doi "https://doi.org/10.1021/acs.inorgchem.1c02535" @default.
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