Analysis of oxygen shell splitting in hydrothermally grown single crystal ThO2(200)
Abstract
Single crystals of ThO2 have been synthesized using hydrothermal growth and studied using the X‐ray absorption fine structure (XAFS) technique. The extended X‐ray absorption fine structure (EXAFS) has been extracted from the XAFS and analyzed using a novel, computational Latin hypercube sampling method. The methodology not only confirms the expected space group and crystal structure, it also identifies the origin of a previously reported split O shell. Since EXAFS is a local order analysis technique, the O shell splitting is identified as an O atom occupying an interstitial site. This result is significant for examining O2– transport in a ThO2 matrix and corroborating research indicating partial Th 5f occupancy that is similar to hyper‐stoichiometric UO2+x compounds. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Oct 12, 2015
- Source ID
- 10.1002/pssr.201510235
Entities
People
- J. C. Petrosky
- J. M. Mann
- J. W. Kolis
- J. W. Mcclory
- T. D. Kelly
Organizations
- Air Force Institute of Technology
- Air Force Research Laboratory
- Clemson University
- Defense Threat Reduction Agency