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Professor John Evans' Outputs (104)

Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study (2008)
Journal Article
Evans, I. R., Howard, J. A., Evans, J. S., Postlethwaite, S. R., & Johnson, M. R. (2008). Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study. CrystEngComm, 10(10), 1404-1409. https://doi.org/10.1039/b807015f

3,4-Pyridinedicarboxylic acid is a compound commonly used as a multifunctional ligand in coordination chemistry. The crystal structure of its orthorhombic Form I has been known for over 30 years, while a new Form II has only been reported recently as... Read More about Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study.

Structural ferroelectric phase transition and polymorphism in 2-aminopyridine dihydrogen phosphate (2008)
Journal Article
Evans, I. R., Howard, J. A., & Evans, J. S. (2008). Structural ferroelectric phase transition and polymorphism in 2-aminopyridine dihydrogen phosphate. Crystal Growth and Design, 8(5), 1635-1639. https://doi.org/10.1021/cg701076s

The structural ferroelectric phase transition in 2-aminopyridine dihydrogen phosphate (2APP) has been studied by single crystal and powder X-ray diffraction between room temperature and 16 K. It has been shown that α-aminopyridine dihydrogen phosphat... Read More about Structural ferroelectric phase transition and polymorphism in 2-aminopyridine dihydrogen phosphate.

Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions (2008)
Journal Article
Conterio, M. J., Goodwin, A. L., Tucker, M. G., Keen, D. A., Dove, M. T., Peters, L., & Evans, J. S. (2008). Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions. Journal of Physics: Condensed Matter, 20(25), Article 255225. https://doi.org/10.1088/0953-8984/20/25/255225

Local structure in the colossal thermal expansion material Ag3[Co(CN)6] is studied here using a combination of neutron total scattering and reverse Monte Carlo (RMC) analysis. We show that the large thermal variations in cell dimensions occur with mi... Read More about Local structure in Ag3[Co(CN)6]: colossal thermal expansion, rigid unit modes and argentophilic interactions.

Colossal Positive and Negative Thermal Expansion in the Framework Material Ag3[Co(CN)6] (2008)
Journal Article
Goodwin, A., Calleja, M., Conterio, M., Dove, M., Evans, J., Keen, D., …Tucker, M. (2008). Colossal Positive and Negative Thermal Expansion in the Framework Material Ag3[Co(CN)6]. Science, 319(5864), 794-797. https://doi.org/10.1126/science.1151442

We show that silver(I) hexacyanocobaltate(III), Ag3[Co(CN)6], exhibits positive and negative thermal expansion an order of magnitude greater than that seen in other crystalline materials. This framework material expands along one set of directions at... Read More about Colossal Positive and Negative Thermal Expansion in the Framework Material Ag3[Co(CN)6].

Structural chemistry of (PPh4)2M(WS4)2 materials. (2008)
Journal Article
Crossland, C. J., Evans, I. R., & Evans, J. S. (2008). Structural chemistry of (PPh4)2M(WS4)2 materials. Dalton Transactions, 2008(12), 1597-1601. https://doi.org/10.1039/b716407f

In this paper we discuss the structural chemistry of (PPh4)2M(WS4)2 (M = Co, Ni, Zn) materials. For M = Ni we and others have been unable to grow single crystals and we report the structure determination from powder diffraction. The material is tricl... Read More about Structural chemistry of (PPh4)2M(WS4)2 materials..

Parametric Rietveld refinement (2007)
Journal Article
Stinton, G., & Evans, J. (2007). Parametric Rietveld refinement. Journal of Applied Crystallography, 40(1), 87-95. https://doi.org/10.1107/s0021889806043275

In this paper the method of parametric Rietveld refinement is described, in which an ensemble of diffraction data collected as a function of time, temperature, pressure or any other variable are fitted to a single evolving structural model. Parametri... Read More about Parametric Rietveld refinement.

The 136-atom structure of ZrP2O7 and HfP2O7 from powder diffraction data. (2006)
Journal Article
Stinton, G., Hampson, M., & Evans, J. (2006). The 136-atom structure of ZrP2O7 and HfP2O7 from powder diffraction data. Inorganic Chemistry, 45(11), 4352-4358. https://doi.org/10.1021/ic060016b

There has been considerable debate in the literature about the true room-temperature structure of ZrP2O7 and related materials. In this article we describe how a combination of information from solid-state 31P NMR and powder diffraction data can be u... Read More about The 136-atom structure of ZrP2O7 and HfP2O7 from powder diffraction data..

Synthesis of size controlled fcc and fct FePt nanoparticles (2006)
Journal Article
Nguyen, H., Howard, L., Stinton, G., Giblin, S., Tanner, B., Terry, I., …Evans, J. (2006). Synthesis of size controlled fcc and fct FePt nanoparticles. Chemistry of Materials, 18(26), 6414-6418. https://doi.org/10.1021/cm062127e

We report the synthesis of FePt magnetic nanoparticles using Na2Fe(CO)4 and Pt(acac)2 as reagents. This method allows good control over particle stoichiometry and ensures efficient mixing of Fe and Pt atoms in the alloy at the atomic scale. The use o... Read More about Synthesis of size controlled fcc and fct FePt nanoparticles.

Characterization of oxygen dynamics in ZrW₂O₈ (2005)
Journal Article
Hampson, M., Evans, J., & Hodgkinson, P. (2005). Characterization of oxygen dynamics in ZrW₂O₈. Journal of the American Chemical Society, 127(43), 15175-15181. https://doi.org/10.1021/ja054063z

The dynamics of oxygen motion in ZrW2O8 have been characterized using O-17 solid-state NMR. Rates of dynamic exchange have been extracted from magnetization transfer experiments over a temperature range of 40 to 226 degrees C, and distinct values for... Read More about Characterization of oxygen dynamics in ZrW₂O₈.

The crystal structure of alpha-La2Mo2O9 and the structural origin of the oxide ion migration pathway (2005)
Journal Article
Evans, I., Howard, J., & Evans, J. (2005). The crystal structure of alpha-La2Mo2O9 and the structural origin of the oxide ion migration pathway. Chemistry of Materials, 17(16), 4074-4077. https://doi.org/10.1021/cm050049%2B

We describe for the first time the full 3D atomic structure of room-temperature alpha-La2Mo2O9. The material, despite its simple chemical formula, has a remarkable 312 crystallographically unique atoms and is thus one of the most complex oxide struct... Read More about The crystal structure of alpha-La2Mo2O9 and the structural origin of the oxide ion migration pathway.

The synthesis and characterisation of Cu₂MX₄ (M = W or Mo; X = S, Se or S/Se) materials prepared by a solvothermal method (2005)
Journal Article
Crossland, C., Hickey, P., & Evans, J. (2005). The synthesis and characterisation of Cu₂MX₄ (M = W or Mo; X = S, Se or S/Se) materials prepared by a solvothermal method. Journal of materials chemistry, 15(34), 3452-3458. https://doi.org/10.1039/b507129a

This paper describes the synthesis of a family of layered materials with general formula Cu2MX4 (M = W or Mo; X = S, Se or S/Se) by a solvothermal route. The effect of synthesis temperature has been investigated and found to determine the structural... Read More about The synthesis and characterisation of Cu₂MX₄ (M = W or Mo; X = S, Se or S/Se) materials prepared by a solvothermal method.

A synthetic route to size-controlled fcc and fct FePt nanoparticles (2005)
Journal Article
Howard, L., Nguyen, H., Giblin, S., Tanner, B., Terry, I., Hughes, A., & Evans, J. (2005). A synthetic route to size-controlled fcc and fct FePt nanoparticles. Journal of the American Chemical Society, 127(29), 10140-10141. https://doi.org/10.1021/ja051669e

We report here a new synthetic route to FePt nanoparticles using a stoichiometric mixture of Na2Fe(CO)4 and Pt(acac)2. The structure of FePt nanoparticles, their size, chemical composition, and magnetic property can be controlled by various synthetic... Read More about A synthetic route to size-controlled fcc and fct FePt nanoparticles.

Synthesis and NMR studies of O-17 enriched AM(2)O(8) phases (2005)
Journal Article
Hampson, M., Allen, S., King, I., Crossland, C., Hodgkinson, P., Harris, R., …Evans, J. (2005). Synthesis and NMR studies of O-17 enriched AM(2)O(8) phases. Solid State Sciences, 7(7), 819-826

This paper describes synthetic routes to produce highly O-17 enriched samples of the negative thermal expansion materials ZrW2O8 and ZrMo2O8. In the case of ZrW2O8 enriched samples can be produced either via enriched Zr-17 O-2 and (WO3)-O-17, which h... Read More about Synthesis and NMR studies of O-17 enriched AM(2)O(8) phases.

Solving molecular crystal structures from laboratory X-ray powder diffraction data with DASH: the state of the art and challenges (2005)
Journal Article
Florence, A., Shankland, N., Shankland, K., David, W., Pidcock, E., Xu, X., …Frampton, C. (2005). Solving molecular crystal structures from laboratory X-ray powder diffraction data with DASH: the state of the art and challenges. Journal of Applied Crystallography, 38, 249-259

The crystal structures of 35 molecular compounds have been redetermined from laboratory monochromatic capillary transmission X-ray powder diffraction data using the simulated-annealing approach embodied within the DASH structure solution package. The... Read More about Solving molecular crystal structures from laboratory X-ray powder diffraction data with DASH: the state of the art and challenges.

Structural chemistry of A(3)CuBO(6) (A = Ca, Sr; B=Mn, Ru, Ir) as a function of temperature (2005)
Journal Article
Aldridge, A., Battle, P., Evans, J., Moore, C., Prior, T., & Wiseman, P. (2005). Structural chemistry of A(3)CuBO(6) (A = Ca, Sr; B=Mn, Ru, Ir) as a function of temperature. Inorganic Chemistry, 44(2), 197-205

Variable temperature X-ray and neutron powder diffraction techniques have been used to identify structural phase transitions in Cu-rich A(3)A'BO6 phases. A transition from monoclinic to rhombohedral symmetry was observed by X-ray diffraction between... Read More about Structural chemistry of A(3)CuBO(6) (A = Ca, Sr; B=Mn, Ru, Ir) as a function of temperature.

Beyond classical applications of powder diffraction (2004)
Journal Article
Evans, J., & Evans, I. (2004). Beyond classical applications of powder diffraction. Chemical Society Reviews, 33(8), 539-547

This article provides a short tutorial review of how laboratory powder diffraction methods can be used to establish a variety of "non-traditional'' pieces of information about solid state materials-information beyond simple phase identification or st... Read More about Beyond classical applications of powder diffraction.

Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies (2004)
Journal Article
Evans, I., Howard, J., Howard, L., Evans, J., Jacimovic, Z., Jevtovic, V., & Leovac, V. (2004). Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies. Inorganica Chimica Acta, 357(15), 4528-4536

Three new binuclear metal complexes of the formulas [(Cu2L2Cl4)-L-II] (1), [(Cu2L2Br2)-L-I] (2) and [(Co2L2Cl4)-L-II] (3) (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) have been synthesized and characterized by chemical analysis, FT-IR spectroscopy,... Read More about Transition metal complexes with pyrazole based ligands, part 18: new binuclear Cu(I), Cu(II) and Co(II) complexes with 3,5-dimethyl-l-thiocarboxamide pyrazole: synthesis, structural and magnetic studies.

The kinetics of low-temperature oxygen migration in ZrWMoO8 (2004)
Journal Article
Allen, S., & Evans, J. (2004). The kinetics of low-temperature oxygen migration in ZrWMoO8. Journal of materials chemistry, 14(2), 151-156

ZrWMoO8 has been shown to undergo a phase transition at remarkably low temperatures in which oxygen atoms become dynamically disordered. The kinetics of this process have been studied by a variety of laboratory-based time and temperature dependent po... Read More about The kinetics of low-temperature oxygen migration in ZrWMoO8.

Structure and phase transition of Sn-substituted Zr(1-x)SnxW2O8 (2004)
Journal Article
De Meyer, C., Bouree, F., Evans, J., De Buysser, K., Bruneel, E., Van Driessche, I., & Hoste, S. (2004). Structure and phase transition of Sn-substituted Zr(1-x)SnxW2O8. Journal of materials chemistry, 14(20), 2988-2994

A conventional solid state reaction between ZrO2, SnO2 and WO3 was used to prepare the negative thermal expansion material Zr(1-x)SnxW2O8. The strong negative thermal expansion over a broad temperature range, which is well known for the pure zirconiu... Read More about Structure and phase transition of Sn-substituted Zr(1-x)SnxW2O8.