Refinement of the crystal structure of rhombohedral KU2(PO4)3 as a representative of orthophosphates with the NaZr2(PO4)3 structure |
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| Authors: | E. R. Gobechiya Yu. K. Kabalov S. V. Tomilin A. N. Lukinykh A. A. Lizin A. I. Orlova |
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| Affiliation: | (1) Faculty of Geology, Moscow State University, Vorob’evy gory, Moscow, 119992, Russia;(2) Research Institute of Atomic Reactors, Federal State Unitary Enterprise State Scientific Center of the Russian Federation, Dimitrovgrad, 433510, Russia;(3) Department of Chemistry, Nizhni Novgorod State University, pr. Gagarina 23, Nizhni Novgorod, 603950, Russia |
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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. (Rbar 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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