%0 Journal Article
%A Guin, M.
%A Dashjav, E.
%A Kumar, C. M. N.
%A Tietz, F.
%A Guillon, O.
%T Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction
%J Solid state sciences
%V 67
%@ 1293-2558
%C Amsterdam [u.a.]
%I Elsevier
%M FZJ-2017-02610
%P 30 - 36
%D 2017
%X A study of the series Na3+xSc2SixP3-xO12 (0 < x < 0.8) revealed very high ionic conductivity values at room temperature. The structural investigation of the substitutional disorder and position of the very mobile Na+ ions in the crystal structure is the key to understanding the structure-property-chemical bonding relationships. Therefore neutron powder diffraction was carried out at 300 and 100 K on Na3.4Sc2Si0.4P2.6O12 to refine the structural parameters and to elucidate the Na+ distribution in the crystal structure.The refinement of the structure revealed that two phases are present, one rhombohedral Si-rich phase and one monoclinic Na3Sc2P3O12 phase. The ratio of the two phases is 1:1 and they possess similar lattice parameters. The hopping distances of the Na+ ions and the size of the bottleneck for Na+ conduction were calculated and explained the high conductivity of the sample.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000401049200006
%R 10.1016/j.solidstatesciences.2017.03.005
%U https://juser.fz-juelich.de/record/828744