Journal
RADIOCHEMISTRY
Volume 59, Issue 1, Pages 26-34Publisher
MAIK NAUKA/INTERPERIODICA/SPRINGER
DOI: 10.1134/S1066362217010027
Keywords
actinides; polymorphism; Voronoi-Dirichlet polyhedra; actinide contraction; 5f interactions
Funding
- Russian Foundation for Basic Research [16-03-00 200a]
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Crystal-chemical analysis of actinide baric polymorphs was performed on the basis of Voronoi-Dirichlet (VD) tessellation. The second moment of inertia of the VD polyhedron (G(3)) and the displacement of the atom nucleus from the center of gravity of its VD polyhedron (D-A) were suggested as descriptors acting as criteria for revealing 5f interactions between the actinide atoms. Pressure elevation is accompanied, as a rule, by an increase in G(3) for Th, Pa, Am, Cm, Bk, and Cf, whereas for U and Pu it leads to a decrease in G(3). Topologically equivalent flat (Th-hP) or corrugated (Pa-hP, alpha-U, Bk-III) 4(4) networks are formed in these high-pressure phases owing to the shortest (covalent) bonds between the actinide atoms, whereas a diamond-like framework is formed in the structures of An-III or An-IV (An = Am, Cm, Cf) and Cm-V, and Pu-4 molecules are formed in hexagonal Pu-hP.
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