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Shining a light on amorphous U2O7: A computational approach to understanding amorphous uranium materials...

Publication Type
Conference Paper
Journal Name
Optical Materials
Publication Date
Page Numbers
295 to 298
Conference Name
Europhysical Defects in Insulating Materials
Conference Location
Bydogoszcz, Poland
Conference Sponsor
University of Bydgoszcz
Conference Date

Mixed-phase and low-symmetry systems are widely observed among uranium oxide materials. Amorphous-U2O7 forms during the calcination of studtite, a uranyl peroxide mineral. Using a genetic algorithm search for stable crystalline phases, we have identified a potentially stable phase of U2O7 that shares structural features with experimentally observed amorphous U2O7 samples. The crystalline structure is expected to undergo a solid–solid phase change around 12 GPa.