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The strongly defective double perovskite Sr11M o4O23: Crystal structure in relation to ionic conductivity

AuthorsLópez, Carlos A.; Pedregosa, José C.; Lamas, Diego G.; Alonso, J. A.
KeywordsCrystal structure determination
Fuel cells
X-ray powder diffraction (XRPD)
Neutron powder diffraction (NPD)
Ionic conductivity
Double perovskites
Issue Date10-Jun-2014
PublisherInternational Union of Crystallography
CitationJournal of Applied Crystallography 47: 1395-1401 (2014)
AbstractThe crystal structure and ionic conductivity properties of a novel microcrystalline Sr11Mo4O23 ceramic material are presented. This material has been prepared by thermal treatment up to 1473emK, in air, of previously decomposed citrate precursors. The complex crystal structure was refined from combined X-ray powder diffraction and neutron powder diffraction data. The formula of this phase can be rewritten as Sr1.75□ 0.25SrMoO5.75, highlighting the relationship with double perovskites A2 B′B′′O6. At room temperature, the crystal structure is tetragonal in space group I4 1/a, with a = 11.6107em(6)emÅ, c = 16.422em(1)emÅ and V = 2213.8em(2)emÅ3. The crystal network contains O anion and Sr cation vacancies. The structure is complex, with Sr, Mo and O atoms distributed over four, two and six distinct Wyckoff sites, respectively. Only one of the Sr sites (SrO6) corresponds to the octahedral network; one of the two MoO 6 types of octahedra is axially distorted. The three other Sr positions occupy the A site with higher coordination. There is an occupational deficit of O atoms of 22em(4)%. This defective framework material presents an interesting ionic mobility, enhanced above 773emK owing to a further reduction in the oxygen content.
Publisher version (URL)https://doi.org/10.1107/S1600576714013491
Identifiersdoi: 10.1107/S1600576714013491
e-issn: 1600-5767
issn: 0021-8898
Appears in Collections:(ICMM) Artículos
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