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Crystal chemistry of fluorite-like clathrates AB 3F10

  • Theoretical Inorganic Chemistry
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Abstract

Crystal chemical analysis of the structures of clathrates AB 3F10 derived from the structural type KY3F10 was carried out. As the structure-forming fragment, a truncated octahedron is considered obtained by connecting 24 F− anions of the outer faces of {YF8} antiprisms that form the cluster {Y6F32}. Four modes of connection of these truncated octahedra giving B 3F10 frameworks were established, two modes involving common edges and two modes involving common hexagonal faces. Edge connection corresponds to known structural types in which the {B 6F32} clusters are arranged as cubic close packing of spheres (structural type KY3F10) or as hexagonal close packing of spheres (structural type β-KYb3F10). Face connection gives rise to motifs similar to those formed by carbon atoms in diamond and lonsdaleite structures. The former motif corresponds to the recently established structure of (H3O)Yb3F10 · H2O. For the latter motif, a model of the hypothetical hexagonal phase ThEr2F10 was proposed (space group P63/mmc, a = 1.1058 nm, b = 1.8007 nm, Z = 8), which was characterzed, in terms of the bond valence method, the global instability index GII = 0.065.

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Authors and Affiliations

  1. Bauman State Technical University, Vtoraya Baumanskaya ul. 5, Moscow, 107005, Russia

    A. M. Golubev & Yu. V. Kuchina

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  1. A. M. Golubev
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  2. Yu. V. Kuchina
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Correspondence to A. M. Golubev.

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Original Russian Text © A.M. Golubev, Yu.V. Kuchina, 2014, published in Zhurnal Neorganicheskoi Khimii, 2014, Vol. 59, No. 3, pp. 355–360.

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Golubev, A.M., Kuchina, Y.V. Crystal chemistry of fluorite-like clathrates AB 3F10 . Russ. J. Inorg. Chem. 59, 213–217 (2014). https://doi.org/10.1134/S0036023614030073

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