The structures of the alpha, beta and gamma polymorphs of quinacridone (Pigment Violet 19) were predicted using Polymorph Predictor software in combination with X-ray powder diffraction patterns of limited quality. After generation and energy minimization of the possible structures, their powder patterns were compared with the experimental ones. On this basis, candidate structures for the polym...

The syntheses, structure solutions, and physicochemical and catalytic characterizations of the novel zeolites SSZ-53 and SSZ-59 are described. SSZ-53 and SSZ-59 were synthesized under hydrothermal conditions with the [1-(4-fluorophenyl)cyclopentylmethyl]trimethyl ammonium cation and 1-[1-(4-chlorophenyl)cyclopentylmethyl]-1-methyl azocanium cation, respectively, as structure-directing agents. T...

Pr9.33(SiO4)6O2 crystals have been grown by the Cz-method for the first time for near UV–visible Faraday rotation applications. Rietveld refinement of XRD data demonstrates that the compound crystallizes in the oxyapatite structure with space group P63/m, with oxyapatite structure. In contrast to Tb3Ga5O12, Pr9.33(SiO4)6O2 crystal shows a higher transparency in the UV–visible wavelength region,...

The correlation between structural and optical properties of nanocrystalline ZnO synthesized by the citrate precursor method has been investigated. The Rietveld refinement of X-ray diffraction pattern confirms the P63mc space group and formation of single phase hexagonal wurtzite structure with presence of tensile strain at the lattice site. The presence of Raman active optical phonon mode at 4...

Abstract In this paper, the synthesis of La3Ba5Cu8O18-δ and Sm3Ba5Cu8O18-δ superconductors using combustion method is reported for first time. Besides, a comparison with solid-state reaction was performed. The materials were synthesized at 870 °C 24 h under oxygen flow. Rietveld refinement showed main crystal phase corresponding to orthorhombic structure space-group Pmm2 (25), purity in range 5...

The CoFe2O4 nanoparticles have been synthesized by using a stable ferric salt of FeCl3 with a micellar microemulsion method. The normal micelles are formed by sodium dodecyl sulfate (NaDS) in aqueous solutions. The mean size of the nanoparticles can be controlled from less than 4 nm to about 10 nm through controlling the concentrations of the reagents. The neutron diffraction in combination wit...

The outcome of the ab-initio crystal structure solution process by Direct Methods depends on not only the quality of the extracted integrated intensities but also the experimental resolution [1]. In fact, the limited experimental resolution distorts the Fourier synthesis even at atomic resolution: when the resolution is larger than 1 Å, the electron density map is an imperfect representation of...