Neutron Diffraction Analysis of NASICON‐type Li1+xAlxTi2–xP3O12. Issue 15 (28th July 2014)

• Record Type: Journal Article
• Authors: Dashjav, Enkhtsetseg; Tietz, Frank
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 640:Issue 15(2014)
• Page Start: 3070
• Page End: 3073
• Publication Date: 2014-07-28
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201400195
• Languages: English
• ISSNs: 0044-2313

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>Powder neutron diffraction analysis was carried out on a sample of Li_{1+<italic>x</italic>}Al<italic>_x</italic>Ti_{2–<italic>x</italic>}P₃O₁₂ 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 6<italic>a</italic> site within the ion conduction channels of the NASICON‐type structure instead of the formerly reported 18<italic>e</italic> or 36<italic>f</italic> sites.</p> </abstract>