Search results for "Neutron diffraction"
showing 10 items of 102 documents
Combination of acoustic levitation with small angle scattering techniques and synchrotron radiation circular dichroism. Application to the study of p…
2016
Abstract Background The acoustic levitation technique is a useful sample handling method for small solid and liquids samples, suspended in air by means of an ultrasonic field. This method was previously used at synchrotron sources for studying pharmaceutical liquids and protein solutions using x-ray diffraction and small angle x-ray scattering (SAXS). Methods In this work we combined for the first time this containerless method with small angle neutron scattering (SANS) and synchrotron radiation circular dichroism (SRCD) to study the structural behavior of proteins in solutions during the water evaporation. SANS results are also compared with SAXS experiments. Results The aggregation behavi…
Differences between Bond Lengths in Biogenic and Geological Calcite
2010
8 pages; International audience; We used high-resolution neutron powder diffraction to accurately measure the atomic positions and bond lengths in biogenic and geological calcite. A special procedure for data analysis was developed in order to take into account the considerable amounts of magnesium present in all the investigated samples. As a result, in biogenic calcite we found some atomic bonds to have significantly different lengths as compared to those in geological calcite, after the contribution of magnesium is accounted for. The maximum effect (elongation up to 0.7%) was found for the C−O bonds. We also analyzed changes in frequencies and spectral widths of normal vibrations of carb…
Neutron powder diffraction study in the mixed molecular system (NaCN)1−x(KCN)x
1989
A detailed structural analysis of (NaCN${)}_{1\mathrm{\ensuremath{-}}\mathrm{x}}$(KCN${)}_{\mathrm{x}}$ mixed crystals with x=0.02, 0.19, and 0.95 was performed by neutron powder diffraction. The structural parameters of the cubic phases were refined, applying a model of preferred orientations. Different noncubic low-temperature phases were observed for x=0.02 and 0.95. For x=0.02 the antiferroelectric ordering of ${\mathrm{CN}}^{\mathrm{\ensuremath{-}}}$ dipoles at low temperatures is accompanied by significant alkali-alkali and alkali-${\mathrm{CN}}^{\mathrm{\ensuremath{-}}}$ sublattice shifts. Structural data are presented together with previous results for mixed crystals with x=0.59 and…
Polarized neutron diffraction and Mössbauer spectral study of short-range magnetic correlations in the ferrimagnetic layered compounds(PPh4)[FeIIFeII…
2002
Short-range antiferromagnetic correlations have been studied in the layered compounds (PPh 4 ) [Fe I I Fe I I I (ox) 3 ] and (NBu 4 ) [Fe I I Fe I I I (ox) 3 ] by neutron polarization analysis and Mossbauer spectroscopy. Polarized neutron diffraction profiles obtained between 2 and 50 K on (d 2 0 -PPh 4 ) [Fe I I Fe I I I (ox) 3 ] show no magnetic Bragg scattering; the lack of such scattering indicates the absence of long-range magnetic order. However, a broad asymmetric feature observed at a Q of ca. 0.8 A - 1 is attributed to two-dimensional short-range magnetic correlations, which are described by a Warren function. The correlation length is ca. 50 A between 2 and 30 K and then decreases…
Structure and Lattice Dynamics in PLZT 8/65/35 Ceramics Irradiated by High-Current Pulsed Electron Beam
2004
The comprehensive study of high-current pulsed electron irradiation effect on the structure and lattice dynamics as well as optical properties of PLZT 8/65/35 ceramics have been performed. X-ray powder diffraction studies shown the transformation of the rhombohedral perovskite structure R3m (Z = 1) into orthorhombic Pmmm (Z = 1) for the sample irradiated by one pulse (dose 4 × 1014 electrons/cm2) and, as a consequence, the changes in number of phonon modes position, oscillators strength and damping in IR and Raman spectroscopy data. However neutron powder diffraction measurements of multiple irradiated samples have not been revealed any structural distortions. Dielectric parameters have sho…
High temperature neutron diffraction study of sodium di-tin tri-phosphate
1992
Abstract High temperature high resolution neutron diffraction study of the crystal chemistry of NaSn 2 (PO 4 ) 3 has been completed, at four different temperatures, applying the Rietveld method to the experimental neutron diffraction profile of a synthetic crystalline powder. Below the phase transition (∼860 K) the space group has been determined to be R3 which changes to R3c in the high temperature phase. No chemical bond breaks through the transition. The change in temperature makes the SnO 6 polyhedra rotate around the three fold axis in both structures. The PO 4 polyhedra rotate strictly around the two fold axis in the high temperature phase, but around the [0001] direction in the low t…
Decoupling lattice and magnetic instabilities in frustrated CuMnO$_2$
2021
The $A$MnO$_{2}$ delafossites ($A$=Na, Cu), are model frustrated antiferromagnets, with triangular layers of Mn$^{3+}$~spins. At low temperatures ($T_{N}$=65 K), a $C2/m \rightarrow P\overline{1}$ transition is found in CuMnO$_2$, which breaks frustration and establishes magnetic order. In contrast to this clean transition, $A$=Na only shows short-range distortions at $T_N$. Here we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO$_2$. We show that, even in stoichiometric samples, non-zero anisotropic Cu displacements co-exist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures acts to decouple the…
The Role of Order-Disorder Transitions in the Quest for Molecular Multiferroics: Structural and Magnetic Neutron Studies of a Mixed Valence Iron (II)…
2012
Neutron diffraction studies have been carried out to shed light on the unprecedented order-disorder phase transition (ca. 155 K) observed in the mixed-valence iron(II)-iron(III) formate framework compound [NH 2(CH3)2]n[FeIIIFe II(HCOO)6]n. The crystal structure at 220 K was first determined from Laue diffraction data, then a second refinement at 175 K and the crystal structure determination in the low temperature phase at 45 K were done with data from the monochromatic high resolution single crystal diffractometer D19. The 45 K nuclear structure reveals that the phase transition is associated with the order-disorder of the dimethylammonium counterion that is weakly anchored in the cavities …
Structural Signatures of Type IV Isotherm Steps: Sorption of Trichloroethene, Tetrachloroethene, and Benzene in Silicalite-I
2002
We have investigated by in situ neutron diffraction the structural properties of C2HCl3, C2Cl4, and C6D6 sorbed phases in silicalite-1. Our motivation is to correlate the structure of these three confined species to the fact that their adsorption isotherms are characterized by no step, one step, and two steps, respectively. From our detailed neutron diffraction investigation, we deduce that the adsorption isotherm steps are not signatures of phase transitions but are correlated to the different adsorption stages observed during the silicalite-1 loading. For C6D6, such a loading is a three stage process (the C6D6 molecules fill successively, the intersections, then the straight channels and …
Neutron diffraction experiments on UCu4+xAl8−x
1992
Abstract Neutron diffraction experiments are reported on UCu4+xAl8−x for concentrations 0.1≤ x ≤1.9 and temperatures 1.6 K≤T≤300 K. For x ≤ 1 these compounds undergo antiferromagnetic phase transitions into a collinear AF I-type structure. with the magnetic moments aligned along the tetragonal c-axis and alternating order within the a−b planes. With increasing concentration the ordering temperatures decrease and moment compensation due to a Kondo-type interaction develops for x>1.