Single Crystal Growth, Structure, and Electronic Properties of Metallic Delafossite PdRhO2
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The comparable order of magnitude between interatomic distances in a crystal and the wavelength of X-rays make X-ray crystallography the ideal analytical tool to gain insight into the structure of crystalline material, including biomolecules. Nevertheless, ...
The [Cs(2 + x)][H3O(1 -x)]Tc2Br8 center dot 4.6H(2)O (x = 0.221) salt has been synthesized and characterized by single crystal XRD. Multi-configurational quantum chemical calculations on Tc2X8n- (X = Cl, Br; n = 2, 3) have been performed and indicate the p ...
This thesis presents an investigation aimed at the understanding of the effect of interfacial energy anisotropy on growth morphologies in Al-Zn alloys. Most low alloyed metals form dendritic structures that grow along directions that correspond to low inde ...
We have solved and refined the crystal structure of the orthorhombic gamma-phase of Ca(BD4)(2) by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same qualit ...
The preparation of single crystals suitable for X-ray analysis is frequently the most difficult step in structural studies of proteins.With the aid of two examples, it is shown that de novo solution of the crystallographic phase problem can be achieved at l ...
X-ray diffraction (XRD) techniques are widely used in determining crystallographic orientations. In this paper we describe a two-step method to determine the three-dimensional orientations of ferroelectric single crystals based on an improved rotating orie ...
Single crystal deformation unveiling the characteristics of crystal glide and the role of defect propagation herein has been a matter of intense research more than 60 years ago. A manifold of different mechanical testing methods and crystal qualities were ...
Two new isostructural layered oxohalides FeTe3O7X (X = Cl, Br) were synthesized by chemical vapor transport reactions, and their crystal structures and magnetic properties were characterized by single-crystal X-ray diffraction, Raman spectroscopy, magnetic ...
High quality centimeter size single crystals of Bi(Cu1-xZnx)(2)PO6 (x=0% 1% 5%) have been successfully grown by the Travelling Solvent Floating Zone (TSFZ) technique The crystals were grown with a rate of 1 mm/h in a gas mixture of 20% O-2 in Ar Characteri ...
A protocol for the structure determination of powdered solids at natural abundance by NMR is presented and illustrated for the case of the small drug molecule thymol. The procedure uses proton spirt-diffusion data front two-dimensional NMR experiments ill ...