dc.contributor.author | Robben, L | en_US |
dc.contributor.author | Abrahams, I | en_US |
dc.contributor.author | Fischer, M | en_US |
dc.contributor.author | Hull, S | en_US |
dc.contributor.author | Dove, MT | en_US |
dc.contributor.author | Gesing, TM | en_US |
dc.date.accessioned | 2019-01-07T11:27:45Z | |
dc.date.available | 2018-11-08 | en_US |
dc.date.issued | 2018-11-21 | en_US |
dc.identifier.issn | 2194-4946 | en_US |
dc.identifier.uri | https://qmro.qmul.ac.uk/xmlui/handle/123456789/54127 | |
dc.description.abstract | ©2018 Walter de Gruyter GmbH, Berlin/Boston 2018. 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 P4 3n 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. | en_US |
dc.relation.ispartof | Zeitschrift fur Kristallographie - Crystalline Materials | en_US |
dc.rights | This is a pre-copyedited, author-produced version of an article accepted for publication in Zeitschrift für Kristallographie - Crystalline Materials following peer review. The version of record is available https://www.degruyter.com/view/j/zkri.ahead-of-print/zkri-2018-2122/zkri-2018-2122.xml | |
dc.title | Low-temperature anharmonicity and symmetry breaking in the sodalite | en_US |
dc.type | Article | |
dc.rights.holder | Copyright © 2011–2019 by Walter de Gruyter GmbH | |
dc.identifier.doi | 10.1515/zkri-2018-2122 | en_US |
pubs.notes | Not known | en_US |
pubs.publication-status | Published | en_US |
dcterms.dateAccepted | 2018-11-08 | en_US |
rioxxterms.funder | Default funder | en_US |
rioxxterms.identifier.project | Default project | en_US |