TY - JOUR
T1 - Local structure and oxidation state of uranium in some ternary oxides: X-ray absorption analysis
AU - Soldatov, A.V.
AU - Lamoen, D.
AU - Konstantinovic, Milan
AU - Van den Berghe, Sven
AU - Scheinost, A.C.
AU - Verwerft, Marc
A2 - Leenaers, Ann
N1 - Score = 10
PY - 2007/1
Y1 - 2007/1
N2 - We investigated the local atomic and electronic structures of two related systematic sets of ternary uranium oxid,es,
NaUO3,KUO3,RbUO3 and BaUO3,,Ba2U2O7, BaUO4, by measuring the X-ray absorption near edge structure (XANES). The results
are compared with calculations based on a self-consistent real space full multiple scattering analysis. We found a very good agreement
between measured and calculated spectra, which indicates that the uranium ions are in a pure U5+ oxidation state in these compounds.
The low energy shoulder observed in the U L3 edge XANES is an intrinsic feature of the uranium unoccupied 6d electronic states of the
U5+ ions within the studied materials. Specific double shoulder features in the higher energy range of the U L3 edge XANES can be
interpreted as indicative of the pure cubic perovskite structure.
AB - We investigated the local atomic and electronic structures of two related systematic sets of ternary uranium oxid,es,
NaUO3,KUO3,RbUO3 and BaUO3,,Ba2U2O7, BaUO4, by measuring the X-ray absorption near edge structure (XANES). The results
are compared with calculations based on a self-consistent real space full multiple scattering analysis. We found a very good agreement
between measured and calculated spectra, which indicates that the uranium ions are in a pure U5+ oxidation state in these compounds.
The low energy shoulder observed in the U L3 edge XANES is an intrinsic feature of the uranium unoccupied 6d electronic states of the
U5+ ions within the studied materials. Specific double shoulder features in the higher energy range of the U L3 edge XANES can be
interpreted as indicative of the pure cubic perovskite structure.
KW - X-ray absorption fine structure
KW - Local and electronic structure
KW - Uranium oxides
UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_76408
UR - http://knowledgecentre.sckcen.be/so2/bibref/3976
U2 - 10.1016/j.jssc.2006.08.038
DO - 10.1016/j.jssc.2006.08.038
M3 - Article
SN - 0022-4596
VL - 180
SP - 54
EP - 61
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
IS - 1
ER -