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Ba 5 (IO 6 ) 2 : crystal structure evolution from room temperature to 80 K

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Bi David Wenhua, Baral Priya Ranjan, Magrez Arnaud,
Project Discovery and Nanoengineering of Novel Skyrmion-hosting Materials
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Original article (peer-reviewed)

Journal Acta Crystallographica Section E Crystallographic Communications
Volume (Issue) 77(6)
Page(s) 634 - 637
Title of proceedings Acta Crystallographica Section E Crystallographic Communications
DOI 10.1107/s2056989021004990

Open Access

Type of Open Access Publisher (Gold Open Access)


The crystal structure of Ba 5 (IO 6 ) 2 , pentabarium bis(orthoperiodate), has been re-investigated at room temperature based on single-crystal X-ray diffraction data. In comparison with a previous crystal structure determination by the Rietveld method, an improved precision of the structural parameters was achieved. Additionally, low-temperature measurements allowed the crystal structure evolution to be studied down to 80 K. No evidence of structural transition was found even at the lowest temperature. Upon cooling, the lattice contraction is more pronounced along the b axis. This contraction is found to be inhomogeneous along different crystallographic axes. The interatomic distances between different Ba atoms reduce drastically with lowering temperature, resulting in a closer packing around the IO 6 octahedra, which remain largely unaffected.