This title appears in the Scientific Report :
2017
Please use the identifier:
http://dx.doi.org/10.1016/j.solidstatesciences.2017.03.005 in citations.
Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction
Investigation of crystal structure and ionic transport in a scandium-based NASICON material by neutron powder diffraction
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-prope...
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Personal Name(s): | Guin, M. |
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Dashjav, E. (Corresponding author) / Kumar, C. M. N. / Tietz, F. / Guillon, O. | |
Contributing Institute: |
Werkstoffsynthese und Herstellungsverfahren; IEK-1 Streumethoden; JCNS-2 JARA-ENERGY; JARA-ENERGY Helmholtz-Institut Münster Ionenleiter für Energiespeicher; IEK-12 |
Published in: | Solid state sciences, 67 (2017) S. 30 - 36 |
Imprint: |
Amsterdam [u.a.]
Elsevier
2017
|
DOI: |
10.1016/j.solidstatesciences.2017.03.005 |
Document Type: |
Journal Article |
Research Program: |
Electrochemical Storage |
Publikationsportal JuSER |
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. |