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005     20210129224725.0
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|a Wiedemann, Dennis
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245 _ _ |a Single-crystal neutron diffraction on γ-LiAlO2: structure determination and estimation of lithium diffusion pathway
260 _ _ |a Berlin
|b De Gruyter
|c 2016
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520 _ _ |a γ-Lithium aluminum oxide is a paradigmatic example of an ultraslow lithium ion conductor. This characteristic plays a crucial role in its proposed and actual applications. Herein, we report on the outcome of single-crystal neutron diffraction studies at ambient and high temperature. Careful evaluation confirms the commonly assumed room-temperature structure as derived by powder neutron diffraction in 1965. At 1043 K, a split of the lithium position hints at the onset of intrinsic diffusion. Analysis of the negative scattering-length density using the maximum-entropy method (MEM) indicates a preference for a strongly curved diffusion pathway traversing octahedral voids between adjacent lithium sites. These results help to understand ultraslow lithium diffusion in well-ordered ionic solids on the microscopic scale and, ultimately, to establish structure–property relationships.
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