The structure of the high-temperature scheelite-type polymorph of cerium niobium tetraoxide, CeNbO(4), has been determined using time-of-flight neutron powder diffraction data collected both in situ at 1073 K in air and in vacuo. In both cases, the structure was found to be tetragonal, with I4(1)/a symmetry and without any significant deviation from the stoichiometric composition.

New techniques have been integrated into EXPO (Altomare et al., 1999), a package devoted to extracting the integrated intensities from an indexed powder diffraction pattern and to solving crystal structures via Direct Methods. An efficient peak-search algorithm and an improved version of the program TREOR90 (Werner et al., 1985) have been introduced in order to offer new tools for a more powerf...

Methods of structure determination from powder diffraction of non-molecular compounds (inorganics, extended solids, intermetallic compounds, etc.) are reviewed. They work either in reciprocal space or in direct space. Those working in reciprocal space use algorithms known from single crystal works (direct methods and Patterson synthesis) and need decomposition of powder patterns to individual r...

A review. Diffraction methods are a powerful tool to investigate the crystal structure of organic compounds in general and their hydrates in particular. The laboratory standard technique of single crystal X-ray diffraction gives information about the molecular conformation, packing and hydrogen bonding in the crystal structure, while powder X-ray diffraction on bulk material can trace hydration...

The data presented in this article are related to the production of 1:1 Caffeine:Glutaric Acid cocrystals as part of the research article entitled "Green production of cocrystals using a new solvent-free approach by spray congealing" (Duarte et al., 2016) [1]. More specifically, here we present the thermal analysis and the X-ray powder diffraction data for pure Glutaric Acid, used as a raw mate...

Due to a variety of potential scientific and industrial applications, a new phase of titanium dioxide (TiO2) would be very exciting. I have investigated a powder sample, which based on preliminary chemical and structural analyses, appeared to be such a new phase. Through subsequent high-resolution x-ray powder diffraction, energy dispersive x-ray spectroscopy, and electron diffraction measureme...

objective(s): cao–mgo–sio2 system bioceramics possess good characteristics for hard tissue engineering applications. the aim of the study was to synthesize the nano powder by using a sol-gel method and evaluate of bioactivity in the cells culture. methods: to characterize of powder x-ray diffraction (xrd), transmission electron microscopy (tem) and to evaluate the bioactivity sample cell seedin...

Crystal-structure determination using X-ray diffraction from single crystals is a well-developed technique (1). A single crystal structure provides full structural characterization of the form at the atomic scale. The main drawback to single crystal diffraction is the need to grow a sufficiently large and defect-free crystal for analysis, which is not practical for all crystal forms. Furthermor...

Neutron powder diffraction based atomic pair distribution functions (PDFs) are reported from the new wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL). The spectrometer was run in white-beam mode with no Fermi chopper. The PDF patterns of Ni and Al2O3 were refined using the PDFfit method and the results compared to data c...