In this paper we present a neutron diffraction in situ study of the thermal evolution and high-temperature structure of layered cobaltites Y (Ba, Sr)Co(2)O(5 + δ). Neutron thermodiffractograms and magnetic susceptibility measurements are reported in the temperature range 20 K ≤ T ≤ 570 K, as well as high-resolution neutron diffraction experiments at selected temperatures. Starting from the as-s...

The properties of some forms of water ice reserve still intriguing surprises. Besides the several stable or metastable phases of pure ice, solid mixtures of water with gases are precursors of other ices, as in some cases they may be emptied, leaving a metastable hydrogen-bound water structure. We present here the first characterization of a new form of ice, obtained from the crystalline solid c...

The lipid matrix present in the uppermost layer of the skin, the stratum corneum, plays a crucial role in the skin barrier function. The lipids are organized into two lamellar phases. To gain more insight into the molecular organization of one of these lamellar phases, we performed neutron diffraction studies. In the diffraction pattern, five diffraction orders were observed attributed to a lam...

Some of the improvements in SHELX2013 make SHELXL convenient to use for refinement of macromolecular structures against neutron data without the support of X-ray data. The new NEUT instruction adjusts the behaviour of the SFAC instruction as well as the default bond lengths of the AFIX instructions. This work presents a protocol on how to use SHELXL for refinement of protein structures against ...

Motifs of periodic modulations are encountered in a variety of natural systems, where at least two rival states are present. In strongly correlated electron systems, such behaviour has typically been associated with competition between short- and long-range interactions, for example, between exchange and dipole-dipole interactions in the case of ferromagnetic thin films. Here we show that spin-...

The D2 clathrate hydrate crystal structure was determined as a function of temperature and pressure by neutron diffraction for the first time. The hydrogen occupancy in the (32+X)H2.136H(2)O, x=0-16 clathrate can be reversibly varied by changing the large (hexakaidecahedral) cage occupancy between two and four molecules, while remaining single occupancy of the small (dodecahedral) cage. Above 1...

A study of "inverted" core-shell, MnO/gamma-Mn(2)O(3), nanoparticles is presented. Crystal and magnetic structures and characteristic sizes have been determined by neutron diffraction for the antiferromagnetic core (MnO) and the ferrimagnetic shell (gamma-Mn(2)O(3)). Remarkably, while the MnO core is found to have a T_{N} not far from its bulk value, the magnetic order of the gamma-Mn(2)O(3) sh...

The available data on the structural and magnetic transitions in multiferroic hexagonal YMnO3 have been reviewed, first making use of the computer programs from the group theoretical ISOTROPY software suite to list possible crystal and magnetic structures, then taking into account the capability of neutron diffraction and other physical methods to distinguish them. This leads to a clear view of...

The reactions of Me(2)NH·BH(3) with cationic Rh(III) and Ir(III) complexes have been shown to generate the 18-electron aminoborane adduct [Ir(IMes)(2)(H)(2){κ(2)-H(2)BNMe(2))](+) and the remarkable 14-electron aminoboryl complex [Rh(IMes)(2)(H)-{B(H)NMe(2))](+). Neutron diffraction studies have been used for the first time to define H-atom locations in metal complexes of this type formed under ...

A programme of examining hydride blisters created in the laboratory on zircaloy pressure tubes and that in the irradiated pressure tube from one of the PHWR , which was suspected to have developed hydride blisters, was undertaken using neutron radiography. It was observed that a zirconium hydride blister of nearly 0.35% of job thickness could be detected using neutron radiography. This work ser...