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The Effect of Hydrogen Bonding on the Nucleophilicity and Basicity of Fluorid...
In nucleophilic fluorination reactions it is extremely difficult to tune the reactivity of the fluoride anion in organic solution to give the desired product. Building on our... -
Proton transfer in croconic acid
Croconic acid has recently emerged as the first example of an above room-temperature organic single component ferroelectric. Our goal is to determine its crystal structure at... -
Crystal and magnetic structure of the polar ferrimagnet BaCaFe4O7
Polar or non-centrosymmetric ferri(-o)magnets offer a plethora of potential technological devices; the inherent magnetoelectric effect can underpin both pyroelectric or... -
Determination of the Crystallographic and Magnetic structures of RbMnBr3, RbF...
We propose to study the crystal structures of RbMnBr3, RbFeBr3 and RbNiBr3 between 300 and 0.3 K. RbMnBr3 under goes two structural phase transition by reducing Rb coordination.... -
Crystal structure of Lu5Rh6Sn18 and Y5Rh6Sn18
This dataset has no description
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Neutron Diffraction Studies on YbCu4Ga8
We discovered a new compound YbCu4Ga8 and the available laboratory single crystal data shows that it crystallizes in the tetragonal system. The asymmetric unit contains one Yb... -
Investigation of the hydrogen bonding and anisotropic displacement parameters...
We will investigate the structure of 4-chloroimidazole, which undergoes extreme anisotropic thermal expansion. This is believed from our initial x-ray results to be due to a... -
Characterising anion binding by analysis of the electron density distribution
The aim of our work is to use charge density analysis to gain insight into the process of binding relatively small anions by specifically designed small organic molecules. These... -
Crystal structure of mallardite, manganese sulfate heptahydrate
This dataset has no description
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Structural basis for the 2D thermal expansion tensor of petalite, LiAlSi4O10
Phases in the lithia-alumina-silica phase diagram (LAS) are of great importance owing to the technologically property of ultra-low thermal expansion (ULTE) that they frequently... -
Resolving crystal structure of Heavy Fermion system
This dataset has no description
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Elucidating the Structure of [(LaCl)Ti28O40(OEt)38(X)]; but what is X?
Metal-doped TiO2 have particular applications as in catalysis of a range of reactions as well as in luminescence materials. Our strategy is to make well-defined molecular TixOy... -
Influence of superstructures on rich transport properties of lithium cobaltate
In the vicinity of x ~ 0.75, LixCoO2 has potential as a thermoelectric, since it has a high Seebeck coefficient and metallic conductivity. We have performed the first successful... -
Investigating the origin of thermochromism in N-salicylideneanilines
Anils, N-salicylideneanilines, display thermochromism, which is thought to involve an intramolecular proton shift, but to-date the structural changes postulated to occur during... -
Determination of the crystal structure of CsNiCl3 and RbNiCl3 under hydrostat...
This dataset has no description
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Single Crystal Scattering Study of 163-Dy2Ti2O7 Using SXD
Spin ice materials are a class of compounds with exotic magnetic properties, resulting from the frustration. Magnetic monopoles have been detected at low temperature; manifest... -
Crystal structures of Na2MoO4.10H2O, Na2WO4.10H2O and Na2MnO4.10H2O.
Chemical substitution is a valuable technique for probing the behaviour of materials since this exerts a stress comparable in many respects to changes in pressure or... -
Hydrogen-bond ordering in hexamethylenetetramine hexahydrate as a function of...
The title compound, more succinctly referred to as HMT-hydrate, is a rare example of a water-framework zeolite structure with an organic guest molecule hydrogen bonded to the... -
Combined neutron and X-ray single-crystal diffraction studies of selected 2-p...
Hydrozones and their metal complexes exhibit subtle redistribution of electron density as a function of substitution, type of the metal center and intermolecular interactions.... -
CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
