Browsing by author "Kennedy, Brendan James"
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Beyond the Ionic Radii: A Multifaceted Approach to Understand Differences between the Structures of LnNbO4 and LnTaO4 Fergusonites
Mullens, Bryce; Saura-Múzquiz, Matilde; Marlton, Frederick; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan JamesPublished 2023Synchrotron X-ray powder diffraction methods have been used to obtain accurate structures of the lanthanoid tantalates, LnTaO4, at room temperature. Three different structures are observed, depending on the size of the Ln ...Open AccessArticle -
Cation and lone pair order-disorder in the polymorphic mixed metal bismuth scheelite Bi3FeMo2O12
Saura-Múzquiz, Matilde; Marlton, Frederick; Mullens, Bryce; Liu, Jiatu; Maynard-Casely, Helen Elizabeth; Avdeev, Maxim; Blom, Douglas A.; Vogt, Thomas; Kennedy, Brendan JamesPublished 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 -
Experimental and Computational Insights into the Anomalous Thermal Expansion of NH¬4ReO4
Saura-Múzquiz, Matilde; Mullens, Bryce; Avdeev, Maxim; Jharapla, PK.; Vaitheeswaran, G.; Gupta, M. K.; Mittal, R.; Kennedy, Brendan JamesPublished 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 -
Long-Range A-Site Cation Disorder in NaA(MO4)2 (M = Mo, W) Double Scheelite Oxides
Mullens, Bryce; Nicholas, Maria; Marlton, Frederick; Brand, Helen E. A.; Gu, Qinfen; Maynard-Casely, Helen Elizabeth; Kennedy, Brendan JamesPublished 2023Synchrotron X-ray and neutron powder diffraction methods have been used to obtain accurate long-range average structures of some double scheelite compounds of the type NaA(BO4)2 (A = La, Pr, Nd, Sm, Lu, and Bi; B = Mo, W) ...Open AccessArticle -
Neutron diffraction study of the tetragonal – monoclinic phase transition in NdNbO4 and NdTaO4
Saura-Múzquiz, Matilde; Mullens, Bryce; Maynard-Casely, Helen Elizabeth; Kennedy, Brendan JamesPublished 2021Phase transition and high-temperature properties of NdNbO4 and NdTaO4 were studied in situ using powder neutron diffraction methods. Both oxides undergo a reversible phase transition from a monoclinic I2/a phase at low ...Open AccessArticle -
Structural And Magnetic Properties Of Some Vacancy Ordered Osmium Halide Perovskites
Saura-Múzquiz, Matilde; Avdeev, Maxim; Brand, Helen E. A.; Kennedy, Brendan JamesPublished 22The structures and magnetic properties of the Os4+ (5d4) halides K2OsCl6, K2OsBr6, Na2OsBr6 and Na2OsBr6.6H2O are described. K2OsCl6 and K2OsBr6 have a cubic vacancy-ordered double perovskites structure but undergo different ...Open AccessArticle -
Structure and electronic properties of a mu-oxo ruthenium bromide
Saura-Múzquiz, Matilde; Mullens, Bryce; Brand, Helen E. A.; Kennedy, Brendan JamesPublished 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 -
Tetrahedral displacive disorder in the scheelite-type oxide RbReO4
Marlton, Frederick; Mullens, Bryce; Chater, Philip A.; Kennedy, Brendan JamesPublished 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 -
Understanding the re-entrant phase transition in a non-magnetic scheelite
Kennedy, Brendan James; Saura-Múzquiz, Matilde; Marlton, Frederick; Mullens, Bryce; Manjón-Sanz, Alicia María; Neuefeind, Joerg C.; Everett, Michelle; Brand, Helen E. A.; Mondald, S.; Vaitheeswaran, G.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
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