Low-temperature anharmonicity and symmetry breaking in the sodalite |Na8I2|[AlSiO4]6-Reference-Cited by-同舟云学术

Low-temperature anharmonicity and symmetry breaking in the sodalite |Na8I2|[AlSiO4]6

Published:2018-11-21 Issue:4 Volume:234 Page:219-228
ISSN:2196-7105
Container-title:Zeitschrift für Kristallographie - Crystalline Materials
language:en
Short-container-title:

Author:

Robben Lars¹²,Abrahams Isaac³,Fischer Michael⁴,Hull Stephen⁵,Dove Martin T.⁶,Gesing Thorsten M.¹²

Affiliation:

1. University of Bremen, Institute for Inorganic Chemistry and Crystallography , Leobener Str. 7 , D-28359 Bremen , Germany

2. University of Bremen, MAPEX Centre for Materials and Processes , Bibliothekstrasse 1 , D-28359 Bremen , Germany

3. School of Biological and Chemical Sciences, Queen Mary University of London , Mile End Road , London E1 4NS , UK

4. University of Bremen, Crystallography Group , Department of Geosciences , Klagenfurter Str. 2-4 , 28359 Bremen , Germany

5. ISIS Facility , Rutherford Appleton Laboratory , Chilton, Didcot, Oxfordshire OX11 0QX , UK

6. School of Physics and Astronomy, Queen Mary University of London , Mile End Road , London E1 4NS , UK

Abstract

Abstract The aluminosilicate iodide sodalite |Na8I2|[AlSiO4]6 was examined by temperature-dependent neutron time-of-flight powder diffraction from 5 K to 290 K and X-ray diffraction from 298 K to 1200 K. The temperature-dependent properties of the mean structure in space group P4̅3n were obtained by Rietveld analysis. A negative slope for the thermal expansion coefficient below 50 K could be observed, and the displacement parameters of the iodide ions indicate anharmonic effects. Local structure models (8×8×8 super cells) were refined against pair-distribution functions calculated from total scattering data collected at 5 K, 165 K and 240 K. The results indicate isotropic displacements for all atoms except for I-atoms, showing the effects of an anharmonic potential around this anion at very low temperatures.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Link

https://www.degruyter.com/document/doi/10.1515/zkri-2018-2122/pdf

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