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Journal of Structural Chemistry

2015 year, number 5

CRYSTALLOGRAPHIC ANALYSIS OF THE STRUCTURE OF SCANDIUM BOROCARBOSILICIDE. HIERARCHY IN THE HIGHLY SYMMETRICAL ORDERING OF ATOMIC GROUPS AND ATOMS

S. V. Borisov, S. A. Magarill, N. V. Pervukhina
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: кристаллографический анализ, катионные и анионные подрешетки, борокарбосилицид скандия, иерархия упорядочения, crystallographic analysis, cation and anion sublattices, scandium borocarbosilicide, ordering hierarchy

Abstract

A crystallographic analysis of the highly symmetrical cubic structure of Sc 0,8B 9,64C 0,53Si 0,057 is conducted of both centers of the [B 12] and [B 10] cluster groups with Sc and Si atoms and separately all individual atoms. In the first case, the analysis reveals an ordering with an I cub sublattice ( а ≈ 5.1 Å) and a competing ordering with an F cub sublattice ( а ≈ 6.8 Å). In the second case (for individual atoms), the analysis reveals orderings with analogous sublattices with twice as small parameters.