School of Chemistry: Recent submissions
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Cation and lone pair order-disorder in the polymorphic mixed metal bismuth scheelite Bi3FeMo2O12
Published 2022The Bi3FeMo2O12 system is examined as a rare example of a transition metal oxide which, upon heating, undergoes a symmetry lowering and 2:1 ordering of the transition metal cations. The compound was synthesised in the ...Open AccessArticle -
Understanding the re-entrant phase transition in a non-magnetic scheelite
Published 2022The stereochemical activity of lone pair electrons plays a central role in determining the structural and electronic properties of both chemically simple materials such as H2O, as well as more complex condensed phases such ...Open AccessArticle -
Tetrahedral displacive disorder in the scheelite-type oxide RbReO4
Published 2022Oxides exhibiting the scheelite-type structure are an important class of functional materials with notable applications in photocatalysis, luminescence and ionic conductivity. Like all materials, understanding their atomic ...Open AccessArticle -
Experimental and Computational Insights into the Anomalous Thermal Expansion of NH¬4ReO4
Published 2022The temperature dependence of the structure and the ground state properties of scheelite type NH4ReO4 have been studied using neutron powder diffraction (NPD) and Density Functional Theory (DFT), respectively. Despite the ...Open AccessArticle -
Structure and electronic properties of a mu-oxo ruthenium bromide
Published 2022The crystal structure of potassium μ-oxo-bis[pentabromoruthenate] K4Ru2OBr10, determined from synchrotron X-ray powder diffraction, is described. Each Ru atom is surrounded by five Br atoms and one O atom. Magnetic ...Open AccessArticle