Journal Article

FZJ-2016-06272

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Single-crystal neutron diffraction on γ-LiAlO2: structure determination and estimation of lithium diffusion pathway

Wiedemann, D. (Corresponding author) ; Indris, S. ; Meven, M.FZJ* ; Pedersen, B. ; Boysen, H. ; Uecker, R. ; Heitjans, P. ; Lerch, M.

2016
De Gruyter Berlin

This record in other databases:  

Please use a persistent id in citations: doi:10.1515/zkri-2015-1896

Abstract: 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.

Keyword(s): Energy (1st) ; Crystallography (2nd)

---

Contributing Institute(s):

1. JCNS-FRM-II (JCNS (München) ; Jülich Centre for Neutron Science JCNS (München) ; JCNS-FRM-II)
2. Streumethoden (JCNS-2)

Research Program(s):

1. 6G15 - FRM II / MLZ (POF3-6G15) (POF3-6G15)
2. 6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623) (POF3-623)

Experiment(s):

1. HEiDi: Single crystal diffractometer on hot source (SR9b)
2. RESI: Thermal neutron single crystal diffractometer (SR8b)

Appears in the scientific report 2016

---

Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

---