Stereochemistry of Plutonium in Oxygen-Containing Compounds

The coordination of 122 crystallographically nonequivalent Pu(III, IV, V, VI, VII) atoms in the crystal structures of all the oxygen-containing compounds characterized with the R -factor lower than 0.1 was analyzed with the aid of Voronoi–Dirichlet polyhedra (VDPs). The Pu atoms form PuO n coordinat...

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Bibliographic Details
Published in:Radiochemistry (New York, N.Y.) N.Y.), 2018-05, Vol.60 (3), p.221-232
Main Authors: Serezhkin, V. N., Pushkin, D. V., Serezhkina, L. B.
Format: Article
Language:English
Subjects:
Atomic structure
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Coordination numbers
Crystal structure
Crystallography
Dirichlet problem
Nuclear Chemistry
Oxidation
Plutonium
Polyhedra
Stereochemistry
Transuranium elements
Valence
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Summary:The coordination of 122 crystallographically nonequivalent Pu(III, IV, V, VI, VII) atoms in the crystal structures of all the oxygen-containing compounds characterized with the R -factor lower than 0.1 was analyzed with the aid of Voronoi–Dirichlet polyhedra (VDPs). The Pu atoms form PuO n coordination polyhedra (6 ≤ n ≤ 12) of 14 types. At a fixed oxidation state of the Pu atoms, the plutonium VDP volume in PuO n complexes is virtually independent of the coordination number n . The rule of 14 neighbors is fulfilled in sublattices consisting of Pu atoms (Pu sublattices). Analysis of the PVD characteristics in Pu sublattices revealed compounds in which the occurrence of bonding Pu–Pu 5 f interactions can be assumed. As demonstrated by the example of Pu(III), the VDP parameters can be successfully used for finding the most adequate 4 f surrogates for highly radioactive transuranium elements.
ISSN:1066-3622
1608-3288
DOI:10.1134/S1066362218030013