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Crystallographic Analysis and Structural Features of Honeycomb Cation Frameworks in Na2FePO4F, NaFePO4, and LiVOPO4 Structures

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Abstract

The crystallographic analysis of the structures of compounds Na2FePO4F (I), NaFePO4 (II), and LiVOPO4 (III) reveals that there are vacant channels in “honeycomb” constructions of their cation frameworks. In these structures, the stability is based on a sequence of embedded (according to the “matryoshka” principle) pseudosymmetry-related pseudo-hexagonal configurations. Ordering of cation positions creates their configuration approaching highly symmetrical sublattices that are close in geometry to face-centered (Fcube) and body-centered (Icube) cubic sublattices. The equivalent positions are occupied by different atoms and vacancies.

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Funding

The work was supported by the Ministry of Science and Higher Education of the Russian Federation (project No. 121031760313-8).

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    S. V. Borisov, N. V. Pervukhina & S. A. Magarill

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  1. S. V. Borisov
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  2. N. V. Pervukhina
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Correspondence to N. V. Pervukhina.

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Russian Text © The Author(s), 2023, published in Zhurnal Strukturnoi Khimii, 2023, Vol. 64, No. 7, 113238.https://doi.org/10.26902/JSC_id113238

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Borisov, S.V., Pervukhina, N.V. & Magarill, S.A. Crystallographic Analysis and Structural Features of Honeycomb Cation Frameworks in Na2FePO4F, NaFePO4, and LiVOPO4 Structures. J Struct Chem 64, 1283–1295 (2023). https://doi.org/10.1134/S0022476623070120

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