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High pressure behaviour of ammonium carbonate monohydrate
A number of compounds crystallise in the NH3-H2O-CO2 ternary system, including ammonium carbonates and carbamates, these being closely related to the water-deficient compound... -
A single-crystal diffuse scattering study of Ferrocene
We propose here a detailed study of the diffuse scattering of ferrocene with the key objective of investigating the origin of the cyclopentadienyl (Cp) ring disorder in this... -
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... -
Magnetic order of multiferroic candidate: the frustrated honeycomb antiferrom...
Magnetic materials with strong spin-orbit interactions are drawing strong attention as candidates to show unusual magnetism such as quantum spin liquid stabilised by highly... -
Crystal structure of Lu5Rh6Sn18 and Y5Rh6Sn18
This dataset has no description
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Determination of the configurational stability of organosamarium intermediate...
This dataset has no description
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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... -
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... -
Cation substitution in synthetic meridianiite (MgSO4.11H2O): site distributio...
MgSO4.11H2O (MS11) is the most highly hydrated phase in the binary MgSO4¿H2O system. Whilst lower hydrates in this system have end-member analogues containing alternative... -
Structural characterization of a fully detuterated manganese Prussian Blue an...
The aim of this proposal is to perform a neutron diffraction determination of the first perdeuterated Mn-Prussian Blue (PB) analogue of composition: Mn(II)3 [Mn(III)(CN)6]2... -
Single-crystal neutron diffraction studies of chain-ordered brownmillerite su...
We are performing structural investigations of a series of brownmillerites (Sr,Ca)2(Fe,Co)2O5 which display long-range modulated ordering of oxygen vacancies at ambient and high... -
Determination of the crystal structure of CsNiCl3 and RbNiCl3 under hydrostat...
This dataset has no description
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Proton ordering and hydrogen bonding in the hydrous zinc phosphate hopeite, Z...
We request 4 days of beamtime on SXD in order to locate the protons and quantify their ordering within the structure of hopeite Zn3(PO4)2.4H2O. Hopeite is an important phase in... -
Multitemperature measurements of 2,6-diaminopurine monohydrate crystals
This dataset has no description
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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... -
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... -
Pressure Effects on Proton Migration 3,5-pyridinedicarboxylic Acid
Hydrogen bonds are ubiquitous in materials across the chemical spectrum, from inorganic to biological. They influence the structure, the functionality, and therefore the... -
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....
