A study of the magnetic and structural properties of the double perovskite Ba2GdMoO6 has been performed. The crystal structure distorts from the ideal cubic (Fm3m) structure to the tetragonal space group I4/m at 220 K, before undergoing a second distortion to a triclinic system (I1) at 80 K. The phase transition to triclinic symmetry is also evident in magnetic susceptibility measurements. The ...

Figure S1: X-ray powder diffraction pattern of the iron oxide nanospheres sample. X-ray Powder diffraction (XRPD) was measured on a conventional in-house powder diffractometer using Cu Kα radiation. Rietveld refinement yields cubic lattice parameters of 8.362(2) Å for the nanospheres and 8.348(1) Å for the nanocubes, which are both close to the cubic spinel lattice parameter of maghemite. The r...

The thermal decomposition mechanism of synthetic Al(OH)3 (gibbsite) was studied in situ by neutron thermodiffractometry in an ambient atmosphere from room temperature to 6001C with 501C steps. Gibbsite decomposed to yield AlO . (OH) (boehmite) and then poorly crystallized v-Al2O3. Rietveld analysis was used to refine the cell parameters’ variation of gibbsite and its thermal expansion coefficie...

Ferrocene is strongly adsorbed by the highly porous metal-organic framework compound [Al(OH)(bdc)l], (MIL-53; bdc = 1,4-benzenedicarboxylate). The structure of the crystalline phase {[Fe(eta5-C5H5)2][Al(OH)(bdc)]2}x, was determined by X-ray powder diffraction and Rietveld methods. The ferrocene molecules are arranged in a 1D chain-like fashion and their cyclopentadienyl rings are oriented almos...

Eight homoleptic metal(III) arylchalcogenolate polymers [M(EPh-p-X)(3)](n) (M = Ru, Cr, and Mo) were characterized by PXRD. Structural solution of [Ru(SPh-p-tBu)(3)](n)1 was achieved by Rietveld refinement of the PXRD data. Pyrolysis of [Ru(SePh)(3)](n)4 produced nanostructured RuSe(2), which selectively catalyzed the reduction of nitro compounds in the presence of other functionalities.

Rubidium dicalcium triniobate(V), RbCa(2)Nb(3)O(10), has been synthesized by solid-state reaction and its crystal structure refined from X-ray powder diffraction data using Rietveld analysis. The compound is a three-layer perovskite Dion-Jacobson phase with the perovskite-like slabs derived by termination of the three-dimensional CaNbO(3) perovskite structure along the ab plane. The rubidium io...

The reaction of pentaerythritol and tetraethylorthocarbonate at 260 degrees C for 12 h yields a white crystalline material that was characterized by 13C CPMAS NMR, CHN analysis, FT-IR, electron and X-ray powder diffraction, and Rietveld analysis. The white crystalline material was found to have the formula C6H8O4 and a crystal structure with a monoclinic cell [a = 9.167 A, b = 5.681 A, c = 5.88...

http://dx.doi.org/10.1016/j.compenvurbsys.2014.10.002 0198-9715/ 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/). ⇑ Corresponding author at: Spatial Information laboratory, Department of Spatial Economics, Faculty of Economics and Business Administration, VU University Amsterdam, De Boe...

Magnetic, dielectric and calorimetric studies on 0.9BiFeO3-0.1BaTiO3 indicate strong magnetoelectric coupling. XRD studies reveal a very remarkable change in the rhombohedral distortion angle and a significant shift in the atomic positions at the magnetic Tc due to an isostructural phase transition. The calculated polarization using Rietveld refined atomic positions scales linearly with magneti...

Density functional theory calculation was conducted to determine the optoelectronic properties of bismuth titanate sillenite (Bi12TiO20) and perovskite-like (Bi4Ti3O12) structures. The lattice parameters were experimentally obtained from Rietveld analysis. The density functional perturbation theory approach was used with the standard Perdew-Burke-Ernzerhof functional and screened Coulomb hybrid...