Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.



The structure of the metastable K18Ta5Zr5F63 phase

Author affiliations

Abstract

A metastable phase K18Ta5Zr5F63 was prepared by molten salt synthesis of K2TaF7 and K2ZrF6 in 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 ZrF6 units have shared faces, forming an infinite channel along the c-axis. 19F MAS NMR experiments agree with the proposed structural model, identifying all five central non-equivalent polyhedra. The K18Ta5Zr5F63 phase 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 K3ZrF7 phase.

Graphical abstract: The structure of the metastable K18Ta5Zr5F63 phase

Back to tab navigation

Supplementary files

Article information


Submitted
13 May 2020
Accepted
18 May 2020
First published
19 May 2020

New J. Chem., 2020, Advance Article
Article type
Paper

The structure of the metastable K18Ta5Zr5F63 phase

M. Boča, M. Molokeev, A. Rakhmatullin, B. Kubíková and Z. Netriová, New J. Chem., 2020, Advance Article , DOI: 10.1039/D0NJ02428G

Social activity

Search articles by author

Spotlight

Advertisements