TY  - JOUR
AU  - Dashjav, Enkhtsetseg
AU  - Tietz, Frank
TI  - Neutron Diffraction Analysis of NASICON-type Li $_{1+ x}$ Al $_{x}$ Ti $_{2- x}$ P $_{3}$ O $_{12}$
JO  - Zeitschrift für anorganische und allgemeine Chemie
VL  - 640
IS  - 15
SN  - 0044-2313
CY  - Weinheim
PB  - Wiley-VCH
M1  - FZJ-2014-06933
SP  - 3070 - 3073
PY  - 2014
AB  - 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.
LB  - PUB:(DE-HGF)16
DO  - DOI:10.1002/zaac.201400195
UR  - https://juser.fz-juelich.de/record/185506
ER  -