Ba5(IO6)2: crystal structure evolution from room temperature to 80 K

• Main Authors: David Wenhua Bi, Priya Ranjan Baral, Arnaud Magrez
• Format: Article
• Language: English
• Published: International Union of Crystallography 2021-06-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: single-crystal structure; low-temperature x-ray diffraction; space-group determination
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989021004990

The crystal structure of Ba5(IO6)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 IO6 octahedra, which remain largely unaffected.