The structure of the metastable K18Ta5Zr5F63phase : научное издание

Тип публикации: статья из журнала

Год издания: 2020

Идентификатор DOI: 10.1039/d0nj02428g

Ключевые слова: Fluorine compounds, Geometry, Nuclear magnetic resonance spectroscopy, Prisms, Accelerated decomposition, Central atom, Fluoride complexes, Infinite channels, Metastable phase, Molten salt synthesis, Structural modeling, Trigonal prisms, Ions, fluoride, fluoride ion, iron, platinum, potassium, sodium chloride, tantalum, zirconium, Article, chemical structure, decomposition, differential scanning calorimetry, priority journal, structural model, X ray diffraction

Аннотация: A metastable phase K18Ta5Zr5F63was prepared by molten salt synthesis of K2TaF7and K2ZrF6in a sealed Pt crucible. This is the first example of a structure of a fluoride complex compound containing both tantalum and zirconium as central atoms. The asymmetric part of the unit cell contains two Ta/Zr sites and one pure Zr site. The Ta1/Zr1 ion is coordinated by seven F ions forming one capped trigonal prism. The Ta2/Zr2 ion is coordinated by six F ions forming a trigonal prism, and this polyhedron is fully ordered. The Zr3 ion is coordinated by six F ions, which are disordered over two positions. All (Zr/Ta)Fn(n= 6-8) polyhedra are isolated from each other, although the ZrF6units have shared faces, forming an infinite channel along thec-axis.19F MAS NMR experiments agree with the proposed structural model, identifying all five central non-equivalent polyhedra. The K18Ta5Zr5F63phase decomposes within several months to its initial components; this can be monitored by NMR, DSC and XRD experiments. Moreover, accelerated decomposition can be achieved by thermal treatment, resulting in the formation of a K3ZrF7phase.

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Издание

Журнал: New Journal of Chemistry

Выпуск журнала: Vol. 44, Is. 22

Номера страниц: 9264-9270

Издатель: Royal Society of Chemistry

Авторы

  • Boca M. (Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, SK-845 36, Slovakia)
  • Molokeev M. (38%Krasnoyarsk%660036%Russian Federation%Siberian Federal University%Krasnoyarsk%660041%Russian Federation)
  • Rakhmatullin A. (Conditions Extremes et Materiaux, Haute Temperature et Irradiation, 1D avenue de la Recherche Scientifique CS 90055, Orleans Cedex 2, 45071, France)
  • Kubikova B. (Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, SK-845 36, Slovakia)
  • Netriova Z. (Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, SK-845 36, Slovakia)

Вхождение в базы данных

  • Scopus

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