Abstract

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 (G3) and the displacement of the atom nucleus from the center of gravity of its VD polyhedron (DA) 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 G3 for Th, Pa, Am, Cm, Bk, and Cf, whereas for U and Pu it leads to a decrease in G3. Topologically equivalent flat (Th-hP) or corrugated (Pa-hP, α-U, Вk-III) 44 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 Pu4 molecules are formed in hexagonal Pu-hP.

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