This paper introduces a two-dimensional extension of the well established Rietveld refinement method for modeling neutron time-of-flight powder diffraction data. The novel approach takes into account the variation of two parameters, diffraction angle 2θ and wavelength λ, to optimally adapt to the varying resolution function in diffraction experiments. By doing so, the refinement against angular...

The crystal structure of Eu(2+)-activated Sr(8)ZnSc(PO(4))(7):Eu(2+) phosphor was refined and determined from XRD profiles by the Rietveld refinement method using a synchrotron light source. This phosphor crystallizes in the monoclinic structure with the I2/a space group. The SZSP:xEu(2+) phosphors showed a broad yellow emission band centered at 511 and 571 nm depending on the concentration of ...

Polycrystalline silver(I) deca-calcium heptakis(orthophos-phate), AgCa10(PO4)7, was obtained by solid-state reaction. It is isotopic with members of the series MCa10(PO4)7 (M = Li, Na, K and Cs), and is closely related to the structure of β-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octa-hedron (site symmetr...

A new structure motif in nitridometalate chemistry is the tetracatena-nitridotantalate anion [Ta4N13]19-. It occurs in the crystal structure of the triple salt Sr14[Ta4N13][TaN4]O (monoclinic, space group P21/c with a = 15.062(2) Å, b = 7.2484(6) Å, c = 24.266(3) Å, and β = 97.280(10)o) together with ortho-tantalate and isolated oxide anions. Synthesis followed a new approach with employment of...

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 ...

The method of angular- and wavelength-dispersive (e.g. two-dimensional) Rietveld refinement is a new and emerging tool for the analysis of neutron diffraction data measured at time-of-flight instruments with large area detectors. Following the approach for one-dimensional refinements (using either scattering angle or time of flight), the first step at each beam time cycle is the calibration of ...