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Refinement of the crystal structure of rhombohedral KU2(PO4)3 as a representative of orthophosphates with the NaZr2(PO4)3 structure

  • Structure of Inorganic Compounds
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Abstract

The crystal structure of the high-temperature β modification of synthetic orthophosphate KU2(PO4)3 was refined from powder X-ray diffraction data by the Rietveld method: sp. gr. \(R\bar 3c\), the unit-cell parameters a= 9.113(1) Å and c= 24.997(1) Å. The isotropic refinement converged to R wp = 6.15, R B = 2.14, R F = 3.52, and S = 0.42. It was confirmed that β-KU2(PO4)3 belongs to the structure type of sodium zirconium phosphate containing an actinide atom in a sixfold (octahedral) coordination formed by oxygen atoms, which is unusual for orthophosphates. The principal interatomic distances and bond angles in the structure are reported.

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Authors and Affiliations

  1. Faculty of Geology, Moscow State University, Vorob’evy gory, Moscow, 119992, Russia

    E. R. Gobechiya & Yu. K. Kabalov

  2. Research Institute of Atomic Reactors, Federal State Unitary Enterprise State Scientific Center of the Russian Federation, Dimitrovgrad, 433510, Russia

    S. V. Tomilin, A. N. Lukinykh & A. A. Lizin

  3. Department of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23, Nizhni Novgorod, 603950, Russia

    A. I. Orlova

Authors
  1. E. R. Gobechiya
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  2. Yu. K. Kabalov
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  3. S. V. Tomilin
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  4. A. N. Lukinykh
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  5. A. A. Lizin
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  6. A. I. Orlova
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__________

Translated from Kristallografiya, Vol. 50, No. 3, 2005, pp. 418–422.

Original Russian Text Copyright © 2005 by Gobechiya, Kabalov, Tomilin, Lukinykh, Lizin, Orlova.

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Gobechiya, E.R., Kabalov, Y.K., Tomilin, S.V. et al. Refinement of the crystal structure of rhombohedral KU2(PO4)3 as a representative of orthophosphates with the NaZr2(PO4)3 structure. Crystallogr. Rep. 50, 374–378 (2005). https://doi.org/10.1134/1.1927592

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  • DOI: https://doi.org/10.1134/1.1927592

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