Search results for "CRYSTALLOGRAPHY"

Hexakis(diethylacetamide)iron(II) hexahalorhenate(IV) ionic salts: X-ray structures and magnetic properties

2015

Two novel Fe<sup>II</sup>-Re<sup>IV</sup> compounds of general formula [Fe<sup>II</sup>(DEA)<inf>6</inf>][Re<sup>IV</sup>X<inf>6</inf>] where DEA = diethylacetamide and X = Cl (1) and Br (2) have been prepared and magnetostructurally characterised. Complexes 1 and 2 are isomorphic ionic salts that crystallise in the trigonal crystal system with space group R(-3). The rhenium(IV) ion in 1 and 2 is six-coordinate with six chloro (1) or bromo (2) ligands building a regular octahedral chromophore. The Fe<sup>II</sup> ion is also six-coordinate, and bonded to six oxygen atoms from six DEA molecules. [Fe<sup&gt…

Molecular association of cryptand 221D in NaCl-water solutions. A small-angle neutron scattering study

1993

Molecules of 5-Decyl-4,7,13,16,21-pentaoxa-1,10-diaza-bicyclo-[8.8.5.]tricosan (221D) and its sodium complex, with both a hydrophobic and a hydrophilic portion, are expected to form aggregates in water solutions. This was confirmed by surface tension measurements. The aggregation behaviour was studied by small-angle neutron scattering at two different [NaCl]/[221D] molar ratios, such as to obtain, in one case, aggregates entirely made up of ionic monomers, and in the other, mixed micelles constituted by both ionic and non-ionic units. The variation of the aggregation number and number of aggregates indicated that, in the former case, smaller micelles were formed, as a consequence of repulsi…

First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides

2020

Valuable discussions with E. A. Kotomin are gratefully acknowledged. Research contribution of R. E. and A. I. P. has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications.” The views and opinions expressed herein do not necessarily reflect those of the European Commission.

45° sign switching of effective exchange bias due to competing anisotropies in fully epitaxial Co3FeN/MnN bilayers

2017

We report an unusual angular-dependent exchange bias effect in ferromagnet/antiferromagnet bilayers, where both ferromagnet and antiferromagnet are epitaxially grown. Numerical model calculations predict an approximately 45° period for the sign switching of the exchange-bias field, depending on the ratio between magnetocrystalline anisotropy and exchange-coupling constant. The switching of the sign is indicative of a competition between a fourfold magnetocrystalline anisotropy of the ferromagnet and a unidirectional anisotropy field of the exchange coupling. This predicted unusual angular-dependent exchange bias and its magnetization switching process are confirmed by measurements on fully …

Mechanochemical Synthesis, Photophysical Properties, and X-ray Structures of N-Heteroacenes (Eur. J. Org. Chem. 7/2016)

2016

Thermal- and photo-induced spin crossover in the 1D coordination polymer [Fe(4-tBupy)3][Au(CN)2]2 (4-tBupy = 4-tert-butylpyridine)

2021

Reaction of the unidentate pyridine ligand containing a bulky t-butyl substituent with Fe2+ and [Au(CN)2]− affords a new type of spin crossover (SCO) coordination polymer in the 1D compound [Fe(4-tBupy)3][Au(CN)2]2⋅0.5H2O (1), which is formed by chains of Fe(II) complexes linked through bridging [Au(CN)2]− with three terminal 4-tBupy and one monodentate [Au(CN)2]− ligands completing the octahedral coordination around Fe(II). Longer reaction times led to the minor products [Fe(4-tBupy)2][Au(CN)2]2 (2), which presents a 2D structure more similar to that found in the other SCO compounds based on [Au(CN)2]−, and the 1D compound [Fe(4-tBupy)2(MeOH)][Au(CN)2]2 (3), in which one of the three termi…

Experimental Equipment for Studying the Residual Stresses Developed During High Temperature Reactions by X-Ray Diffraction

1996

This paper describes a device dedicated to studyng, by X-ray diffraction the residual stresses developed on surface samples as a function of temperature and atmosphere conditions. The setup consists of : a.) an horizontal axis goniometer which allows the programmed positionning of the sealed X-ray source and of the linear detector. b.) a high temperature controlled atmosphere chamber Particular attention has been paid to the thermal stability up to 1200°C and the accurate position on the sample.

X-ray diffraction and Raman spectroscopy studies in Na1/2Bi1/2TiO3-SrTiO3-PbTiO3 solid solutions

2016

The long and short range orders in 0.4Na1/2Bi1/2TiO3-(0.6-x)SrTiO3-xPbTiO3 solid solutions were studied by x-ray diffraction and Raman spectroscopy. X-ray diffraction patterns for these composition...

Structure and dielectric properties of Na0.5Bi0.5TiO3-CaTiO3 solid solutions

2016

Despite wide studies of Na0.5Bi0.5TiO3, structure of this material and its connection with the observed physical properties still raise numerous questions due to mutually contradicting results obtained. Here, structure and dielectric properties of poled and unpoled Na0.5Bi0.5TiO3-CaTiO3 solid solutions are studied, projecting the obtained concentration dependence of structure and dielectric properties on pure Na0.5Bi0.5TiO3 as the end member of this material group. X-ray diffraction patterns for Na0.5Bi0.5TiO3-CaTiO3 solid solutions reveal dominating of an orthorhombic Pnma phase, even for the compositions approaching the end composition (Na0.5Bi0.5TiO3), whereas structure of pure Na0.5Bi0.…

Simultaneous Synthesis and Consolidation of Nanostructured MoSi2

2002

A new process combining electric field activation and the imposition of pressure from mechanically activated powder mixtures is demonstrated as a means to simultaneously synthesize and densify nano-MoSi2 in one step. Nanophase reactants (Mo + 2Si) produced by mechanical activation are reacted by field activation with the simultaneous application of a uniaxial pressure. Mo + 2Si powders were comilled in a specially designed planetary mill to obtain nanometric reactants but to avoid formation of any product phases. These were then subjected to high alternating currents (1600 A) and pressures of 106 MPa. Under these conditions, a reaction is initiated and completed within a short period of tim…