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@ARTICLE{Guin:828744,
author = {Guin, M. and Dashjav, E. and Kumar, C. M. N. and Tietz, F.
and Guillon, O.},
title = {{I}nvestigation of crystal structure and ionic transport in
a scandium-based {NASICON} material by neutron powder
diffraction},
journal = {Solid state sciences},
volume = {67},
issn = {1293-2558},
address = {Amsterdam [u.a.]},
publisher = {Elsevier},
reportid = {FZJ-2017-02610},
pages = {30 - 36},
year = {2017},
abstract = {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.},
cin = {IEK-1 / IEK-12 / JARA-ENERGY / JCNS-2},
ddc = {550},
cid = {I:(DE-Juel1)IEK-1-20101013 / I:(DE-Juel1)IEK-12-20141217 /
$I:(DE-82)080011_20140620$ / I:(DE-Juel1)JCNS-2-20110106},
pnm = {131 - Electrochemical Storage (POF3-131)},
pid = {G:(DE-HGF)POF3-131},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000401049200006},
doi = {10.1016/j.solidstatesciences.2017.03.005},
url = {https://juser.fz-juelich.de/record/828744},
}