Experimental and theoretical studies of the ferroelastic domain structure of the (NH 4) 3 H(SeO 4) 2 crystal in phases III and IV are performed. Using the refined structural data the orientations of Wand W 0-type domain walls, as well as the temperature evolution of the domain structure are investigated. It is shown that in spite of the fact that the room temperature phase III has a triclinic s...

The crystal structure of zirconium oxide nanoparticles was refined by the Rietveld analysis of synchrotron X-ray powder diffraction data measured at 298 K. In the nanoparticles, two phases of tetragonal ZrO(2 - delta) (average particle size: 11 +/- 2 nm) and monoclinic ZrO2 (average particle size: 24 +/- 4 nm) existed, where the weight fractions were estimated to be 84.9 and 15.1 wt%, respectiv...

in this paper, the structure of a new 16-membered macrocyclic schiff base compound n,n′-(3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzylidene)propane-1,3-diamine, c22h26n2o4 (1), derived from 1,3-propanediamine and 3,3′-dimethoxy-2,2′-(propane-1,3-diyldioxy)dibenzaldehyde has been studied by single crystal x-ray diffraction, dft calculations at b3lyp/6-31g** and ft-ir spectroscopy. the titl...

sulphosalts in the system agsbs2-agass2 have been experimentally investigated using dry methods. the solid solutions which form between ?-miargyrite and smithite have different structures. the epma data for the solid solution series show that there is an inverse relation between sb and as. the cell parameters of the solid solution between ?-miargyrite and smithite increase up to about 50% of...

sulphosalts in the system agsbs2-agass2 have been experimentally investigated using dry methods. the solid solutions which form between ?-miargyrite and smithite have different structures. the epma data for the solid solution series show that there is an inverse relation between sb and as. the cell parameters of the solid solution between ?-miargyrite and smithite increase up to about 50% of ag...

Nanostructured lithium metal orthosilicate materials hold a lot of promise as next generation cathodes but their full potential realization is hampered by complex crystal and electrochemical behavior. In this work Li2FeSiO4 crystals are synthesized using organic-assisted precipitation method. By varying the annealing temperature different structures are obtained, namely the monoclinic phase at ...

The mol-ecule of the title compound, C(30)H(46), has a crystallographically imposed inversion center and the cyclo-hexyl groups are oriented with their methine H atoms pointing towards one another (H⋯H = 1.99 Å). The cyclohexyl groups adopt chair conformations. A significant C-H⋯π inter-action assembles mol-ecules into layers parallel to (100).

Z. Naturforsch. 56 b, 1163-1171 (2001); received July 17, 2001 Hypervalence, Phosphines, Lewis Acid-Base Adducts Lewis acid-base adducts between NMe3, tmeda (A^A^Af'-tetramethylethylenediamine), and 1.4-dimethylpiperazine as donors and PBr3 as acceptor have been prepared and structurally characterized. NMe3 and tmeda form 1:1 adducts (Me3 N)PBr3 (1) and (tmeda)PBr3 (2), re­ spectively, while 1,...

A monoclinic zirconia coating with a nanostructural surface was prepared on the Ti-6Al-4V substrate by an atmospheric plasma-spraying technique, and its microstructure and composition, as well as mechanical and biological properties, were investigated to explore potential application as a bioactive coating on bone implants. X-ray diffraction, transmission electron microscopy, scanning electron ...