TY  - JOUR
AU  - Guin, M.
AU  - Dashjav, E.
AU  - Kumar, C. M. N.
AU  - Tietz, F.
AU  - Guillon, O.
TI  - Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction
JO  - Solid state sciences
VL  - 67
SN  - 1293-2558
CY  - Amsterdam [u.a.]
PB  - Elsevier
M1  - FZJ-2017-02610
SP  - 30 - 36
PY  - 2017
AB  - 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.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000401049200006
DO  - DOI:10.1016/j.solidstatesciences.2017.03.005
UR  - https://juser.fz-juelich.de/record/828744
ER  -