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Crystal structures of MnNbOF5 · 4H2O at 153 and 297 K

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Abstract

Crystals of MnNbOF5 · 4H2O were studied by X-ray diffraction, differential scanning calorimetry (DSC) and thermogravimetry. DSC showed a phase transition in the temperature range of 282 to 296.3 K. The compound is dehydrated in two stages in the temperature ranges of 65–131.1 and 131.1–190°C, two H2O molecules being removed in each stage. The structure of MnNbOF5 · 4H2O was determined at 153 K (α phase; space group P21/c) and at 297 K (β phase, space group C2/m). The structure of both phases is formed of the octahedral complexes [NbF4(O/F)2/2]0.5− and [Mn(H2O)4(O/F)2/2]0.5+ linked by bridging O and F atoms to infinite chains. The isolated niobium-manganese chains are connected by O-H…F hydrogen bonds. In the α phase, the Nb, O, and F atoms in the trans position relative to O are disordered with respect to the inversion center of the structure. Transition to the β phase is accompanied by splitting of all ligand positions at the Nb and Mn atoms into two equally probable positions.

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Authors and Affiliations

  1. Institute of Chemistry, Far East Division, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok, 690022, Russia

    A. V. Gerasimenko, I. A. Tkachenko, E. B. Merkulov & T. F. Antokhina

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  1. A. V. Gerasimenko
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  2. I. A. Tkachenko
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  3. E. B. Merkulov
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  4. T. F. Antokhina
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Original Russian Text © A.V. Gerasimenko, I.A. Tkachenko, E.B. Merkulov, T.F. Antokhina, 2010, published in Zhurnal Neorganicheskoi Khimii, 2010, Vol. 55, No. 12, pp. 2002–2010.

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Gerasimenko, A.V., Tkachenko, I.A., Merkulov, E.B. et al. Crystal structures of MnNbOF5 · 4H2O at 153 and 297 K. Russ. J. Inorg. Chem. 55, 1888–1896 (2010). https://doi.org/10.1134/S0036023610120120

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  • DOI: https://doi.org/10.1134/S0036023610120120

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