The structures of both known forms of the polymorphic material ortho-acetamidobenzamide, C(9)H(10)N(2)O(2), have been determined by low-temperature neutron single-crystal diffraction. Neutron diffraction allows the full description of the H-atom positions in this molecular material, which is vital in benchmarking related crystal-structure predictions. Significant conformational differences are ...

Neutron diffraction has been used for engineering applications for nearly three decades. The basis of the technique is powder diffraction following Bragg’s Law. The measured diffraction patterns provide information about internal strains, texture and microstructure, which can be deduced from the peak positions, peak intensities, and peak widths, respectively. Most structural materials are aniso...

The crystal structure of the high temperature phase of anilinium bromide, CeH5NH3®Br , was studied by X-ray and neutron diffraction at T = 343 K . The refinement supports disordered positions of the —NH3® group. A split-atom model is proposed which includes disorder of the benzene ring. The thermal parameters, hydrogen bond distances, and other experimental data (NMR, N Q R , inelastic neutron ...

Neutron diffraction is the method of choice when locating chemically interesting hydrogen atoms, particularly in systems containing a heavy metal. In this article, two fascinating complexes containing hydrogen atoms that were unambiguously located with neutron diffraction will be highlighted. The first complex, OsH3Cl(PPh3)3, is a Kubas-type complex containing a rare elongated dihydrogen ligand...

High oxygen conductivities can be achieved in cation ordered LnxZrl_=O2_l x (Ln=Gd, Nd) solid solutions with pyrochlore (P) structure. High values of the pre-exponentlal factor °o are correlated with the degree of anion disorder in the 8b oxygen sublattice (neutron diffraction). The activation energy AH is lowered by cation ordering (F-P transition; effect of x) due to the occurence of a prefer...

Finite spin chains made of few magnetic ions are the ultimate-size structures that can be engineered to perform spin manipulations for quantum information devices. Their spin structure is expected to show finite size effects and its knowledge is of great importance both for fundamental physics and applications. Until now a direct and quantitative measurement of the spatial distribution of the m...

Conventional crystallographic refinement uses the Bragg-peak intensities and gives the single-site average crystal structure. Information about short-range order and local order is contained in the diffuse scattering that is distributed throughout reciprocal space. Models of the short-range order in materials can now be automatically refined. The complementarity of X-ray and neutron diffraction...

Using neutron inelastic scattering and diffraction, we have studied the quantum methyl rotation in zeolitic imidazolate framework-8 (ZIF-8: Zn(MeIM)(2), MeIM = 2-methylimidazolate). The rotational potential for the CH(3) groups in ZIF-8 is shown to be primarily 3-fold in character. The ground-state tunneling transitions at 1.4 K of 334 +/- 1 mueV for CH(3) groups in hydrogenated ZIF-8 (H-ZIF-8)...

Heavy-fermion metals exhibit a plethora of low-temperature ordering phenomena . Among these are the so-called hidden-order phases that, in contrast to conventional magnetic order, are invisible to standard neutron diffraction experiments. One of the structurally most simple hidden-order compounds, CeB6, has been intensively studied for an elusive phase that was attributed to the antiferroquadru...