%0 Journal Article
%A Dashjav, Enkhtsetseg
%A Tietz, Frank
%T Neutron Diffraction Analysis of NASICON-type Li $_{1+ x}$ Al $_{x}$ Ti $_{2- x}$ P $_{3}$ O $_{12}$
%J Zeitschrift für anorganische und allgemeine Chemie
%V 640
%N 15
%@ 0044-2313
%C Weinheim
%I Wiley-VCH
%M FZJ-2014-06933
%P 3070 - 3073
%D 2014
%X Powder neutron diffraction analysis was carried out on a sample of Li1+xAlxTi2–xP3O12 at two temperatures, 10 K and 300 K. After heat treatment the material contained small amounts of LiTiOPO4 as impurity. Refinement of the neutron diffraction data confirmed that the main phase crystallized with a NASICON structure. No structural change was observed at low temperature. Al atoms randomly substituted Ti atoms, and additional Li atoms occupied a second site in the crystal structure. A detailed analysis of the diffraction data, including the inspection of Fourier difference maps, indicated that these excess Li+ ions occupied a 6a site within the ion conduction channels of the NASICON-type structure instead of the formerly reported 18e or 36f sites.
%F PUB:(DE-HGF)16
%9 Journal Article
%R 10.1002/zaac.201400195
%U https://juser.fz-juelich.de/record/185506