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Crystallochemical modeling, synthesis, and study of new tantalum and niobium phosphates with a framework structure

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Abstract

A crystallochemical approach is used to model the compositions of phosphates of pentavalent elements with the expected structure. New phosphates with a framework structure of the T I2 T 2/III3 T 2/V1 (PO4)3 type (T I = Na or K; T III = Al, Cr, or Fe; and T V = Nb or Ta) are synthesized and characterized by X-ray diffraction analysis (including high-temperature diffraction) and IR spectroscopy. It is established that, depending on the nature of the alkali cation (Na or K), these compounds are crystallized in two structural modifications: rhombohedral and cubic (sp. gr. R \(\bar 3\) c and P213, respectively). The unit-cell parameters and the thermal expansion coefficients of the phosphates under study are determined and the dependences of these characteristics on the nature of cations are established.

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Original Russian Text © A.I. Orlova, A.K. Koryttseva, E.V. Bortsova, S.V. Nagornova, G.N. Kazantsev, S.G. Samoilov, A.V. Bankrashkov, V.S. Kurazhkovskaya, 2006, published in Kristallografiya, 2006, Vol. 51, No. 3, pp. 391–399.

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Orlova, A.I., Koryttseva, A.K., Bortsova, E.V. et al. Crystallochemical modeling, synthesis, and study of new tantalum and niobium phosphates with a framework structure. Crystallogr. Rep. 51, 357–365 (2006). https://doi.org/10.1134/S1063774506030011

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  • DOI: https://doi.org/10.1134/S1063774506030011

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