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Title: U(v) in Metal Uranates. A Combined Experimental And Theoretical Study of MgUO4, CrUO4 and FeUO4

Pentavalent uranium can exist in aqueous solution, but its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mössbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. Moreover, the presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which are thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. The structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.
 [1] ;  [2] ;  [3] ;  [4] ;  [5] ;  [5] ;  [6] ;  [6] ;  [7] ;  [6] ;  [4] ;  [5] ;  [8] ;  [7]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, Davis, CA (United States)
  2. Univ. of California, Davis, CA (United States); Nuclear Research Center (Israel)
  3. Univ. of California, Berkeley, CA (United States); Univ. of Michigan, Ann Arbor, MI (United States)
  4. Univ. of California, Berkeley, CA (United States)
  5. Univ. of Chicago, IL (United States)
  6. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  7. Univ. of California, Davis, CA (United States)
  8. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1477-9226; 47956; KP1704020
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Dalton Transactions; Journal Volume: 45; Journal Issue: 11
Royal Society of Chemistry
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org:
Country of Publication:
United States
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Environmental Molecular Sciences Laboratory