TY  - JOUR
AU  - Wiedemann, Dennis
AU  - Indris, Sylvio
AU  - Meven, Martin
AU  - Pedersen, Björn
AU  - Boysen, Hans
AU  - Uecker, Reinhard
AU  - Heitjans, Paul
AU  - Lerch, Martin
TI  - Single-crystal neutron diffraction on γ-LiAlO2: structure determination and estimation of lithium diffusion pathway
JO  - Zeitschrift für Kristallographie / Crystalline materials
VL  - 231
IS  - 3
SN  - 2196-7105
CY  - Berlin
PB  - De Gruyter
M1  - FZJ-2016-06272
SP  - 189–193
PY  - 2016
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000371880500006
DO  - DOI:10.1515/zkri-2015-1896
UR  - https://juser.fz-juelich.de/record/821015
ER  -