Acta Crystallographica Section B

Structural Science, Crystal Engineering and Materials

Volume 69, Part 6 (December 2013)


research papers



Acta Cryst. (2013). B69, 584-588    [ doi:10.1107/S2052519213024093 ]

Sodium manganese fluorosulfate with a triplite structure

P. Barpanda, C. D. Ling, G. Oyama and A. Yamada

Abstract: The crystal structure of the NaMnSO4F fluorosulfate phase prepared by low-temperature solid-state synthesis has been solved and refined by the Rietveld analysis of synchrotron X-ray powder diffraction data. Isostructural to the naturally occurring triplite family of minerals, this compound crystallizes in monoclinic C2/c symmetry (No. 15) with unit-cell parameters of a = 13.77027 (17), b = 6.63687 (8), c = 10.35113 (14) Å, [beta] = 121.4795 (3)° and V = 806.78 (2) Å3. Its structure is built of edge-sharing chains of distorted MO4F2 octahedra, which are interconnected by constituent SO4 tetrahedra to form a robust three-dimensional polyanionic framework. MO4F2 octahedra are randomly occupied by Na and Mn with close to 1:1 occupancy. This random mixing of cations among polyhedral building blocks means that there are no channels for Na-ion conduction, rendering it electrochemically inactive. The structure is discussed and compared with other known alkali metal fluorosulfates as well as to naturally occurring triplite-type minerals.

Keywords: sodium-ion battery cathodes; fluorosulfates; triplite; disorder.


pdfdisplay filedownload file

Portable Document Format (PDF) file
[ doi:10.1107/S2052519213024093/kd5072sup4.pdf ]
SEM image and electrochemical performance of NaMnSO4F triplite phase


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster