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000185506 245__ $$aNeutron Diffraction Analysis of NASICON-type Li $_{1+ x}$ Al $_{x}$ Ti $_{2- x}$ P $_{3}$ O $_{12}$
000185506 260__ $$aWeinheim$$bWiley-VCH$$c2014
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000185506 520__ $$aPowder neutron diffraction analysis was carried out on a sample of Li1+xAlxTi2–xP3O12 at two temperatures, 10 K and 300 K. After heat treatment the material contained small amounts of LiTiOPO4 as impurity. Refinement of the neutron diffraction data confirmed that the main phase crystallized with a NASICON structure. No structural change was observed at low temperature. Al atoms randomly substituted Ti atoms, and additional Li atoms occupied a second site in the crystal structure. A detailed analysis of the diffraction data, including the inspection of Fourier difference maps, indicated that these excess Li+ ions occupied a 6a site within the ion conduction channels of the NASICON-type structure instead of the formerly reported 18e or 36f sites.
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000185506 7001_ $$0P:(DE-Juel1)129667$$aTietz, Frank$$b1$$eCorresponding Author$$ufzj
000185506 770__ $$aAdvanced Powder Diffraction Techniques in Inorganic Chemistry
000185506 773__ $$0PERI:(DE-600)1481139-x$$a10.1002/zaac.201400195$$gVol. 640, no. 15, p. 3070 - 3073$$n15$$p3070 - 3073$$tZeitschrift für anorganische und allgemeine Chemie$$v640$$x0044-2313$$y2014
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