Structural, vibrational and thermal expansion properties of ScWO.

Phys Chem Chem Phys

School of Physical Science & Engineering and Key Laboratory of Materials Physics of Ministry of Education of China, Zhengzhou University, Zhengzhou 450052, China.

Published: August 2018

A novel oxide material with the formula of Sc2W4O15 and orthorhombic symmetry is synthesized by solid state reactions and its structure, composition, vibrational properties and thermal expansion are investigated and identified by temperature-dependent X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrometry (EDS), X-ray photoelectron spectrometry (XPS) and dilatometry. It is shown that the oxide material with an orthorhombic symmetry shows a similar structure to that of Sc2W3O12, but with W partially occupying the position of Sc, leading to not only the corner-sharing ScO6-WO4 connections but also the corner-sharing WO6-WO4 connections. Raman spectroscopic studies show that compared to Sc2W3O12, the FWHMs of most Raman modes in Sc2W4O15 increase due to the occupation of W6+ in the Sc3+ position. Besides, the W-O bonds in Sc2W4O15 are slightly harder than those in Sc2W3O12. An intrinsic thermal contraction in a wide range of temperatures (93-572 K) is demonstrated, which is attributed to the librational and translational vibrations of the corner-sharing polyhedra as well as the transverse vibrations of the bridging O atoms in the Sc-O-W and W-O-W linkages.

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http://dx.doi.org/10.1039/c8cp02403kDOI Listing

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