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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.... -
Compression of meridianiite (MgSO4.11D2O) single crystals to 5 kbar
We propose to carry out single crystal diffraction measurements of the most hydrated MgSO4 compounds, meridianiite, using a thin-walled TiZr gas cell on SXD up to 5 kbar. These... -
Diffuse scattering studies of squaric acid in an applied electric field
Organic ferroelectric compounds such as KH2PO4 and squaric acid, have attracted much interest in the past due to their potential in applications [1]. This interest has been... -
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... -
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... -
Low temperature phase transitions in ferroelectric tris-sarcosine calcium chl...
Small-molecule based ferroelectrics offer several advantages over the currently used materials based on heavy metal oxides (i.e. cost, environmental-friendliness). There are... -
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.... -
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...
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Ordered structures in the new Topological Insulators
We propose to investigate the structure of the new ¿ordered¿ phases within the Bi2Se3-Bi2Te3 phase diagram of the newly discovered Topological Insulators. The bulk properties of... -
Chemical effect on elastic properties in hexa-alogenated-benzenes
Benzene is the parent compound of organic solids based on C-H...pi interactions that have been used in organic field effect transistors. Any change in the C-H...pi interactions... -
Anharmonic thermal motion of hydrogen atom(s)
This is a feasibility study of a possible influence of anharmonic thermal motion of hydrogen atom(s) on quantitative electron density distributions in single crystals of model... -
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... -
Orientation of crystalline domains in rare-earth single crystals for correlat...
This dataset has no description
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The effect of H/D isotopic replacement on the topology of the electron densit...
The Quantum Theory of Atoms in Molecules (QTAIM) is the quantum mechanical way of looking at molecular structures and bonding. Developed by Richard Bader, QTAIM is built on... -
Neutron photocrystallography study of [Ni(dppe)(n1-NO2)Cl]
Photocrystallography is a rapidly developing technique in modern structural chemistry which will result in a paradigm shift in the way that the crystallographic method is... -
CPRO#1 T=300K wtl=10.0 j:14,14
This dataset has no description
