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1988•Journal of Physics C Solid State PhysicsOpen access

Anharmonic vibrations in UO2as determined by EXAFS

Nicholas T. Barrett, George Neville Greaves, Bertram T. M. Willis, G. Antonini, F. R. Thornley

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Abstract

Anharmonicity in the lattice vibrations of oxygens in UO 2 has been examined by using EXAFS of the UL III absorption edge. Whilst the EXAFS-determined U-U distance of 3.89 AA closely matches the crystallographic separation, the U-O distance of 2.43 AA is 0.06 AA longer. This shift is interpreted on the basis of an anharmonic lattice model in which oxygens occupy anti-tetrahedral sites.

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Anharmonicity in the lattice vibrations of oxygens in UO 2 has been examined by using EXAFS of the UL III absorption edge. Whilst the EXAFS-determined U-U distance of 3.89 AA closely matches the crystallographic separation, the U-O distance of 2.43 AA is 0.06 AA longer. This shift is interpreted on the basis of an anharmonic lattice model in which oxygens occupy anti-tetrahedral sites.

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Available abstract

Anharmonicity in the lattice vibrations of oxygens in UO 2 has been examined by using EXAFS of the UL III absorption edge. Whilst the EXAFS-determined U-U distance of 3.89 AA closely matches the crystallographic separation, the U-O distance of 2.43 AA is 0.06 AA longer. This shift is interpreted on the basis of an anharmonic lattice model in which oxygens occupy anti-tetrahedral sites.

Key concepts: Anharmonicity, Extended X-ray absorption fine structure, Lattice vibration, Tetrahedron, Lattice (music), Crystallography, Chemistry, Atomic physics

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