Stability and sorption of Metal-Organic Frameworks (MOFs) towards water are critical in many applications, and can a priori be modulated through the introduction of suitable organic functional groups on their backbone. We report here the preparation of a series of Zr(iv)-based MOFs functionalized with alkyl and perfluoroalkyl groups and their characterization by X-ray powder diffraction, multi-...

[1] We have measured the compressibility of CsClstructured FeSi to 40 GPa by X-ray powder diffraction using synchrotron radiation. A third order Birch-Murnaghan equation of state fit to the experimental data yields V0 = 21.74 ± 0.02 Å, with a K0 of 184 ± 5 GPa and K 0 0 = 4.2 ± 0.3. The measured density and elastic properties of CsClFeSi are consistent with silicon being a major element in the ...

The GdFeO3-type perovskite NaFeF3 transforms to CaIrO3-type postperovskite at pressures as low as 9 GPa at room temperature. The details of such a transition were investigated by in situ synchrotron powder diffraction in a multianvil press. Fit of the p-V data showed that the perovskite phase is more compressible than related chemistries with a strongly anisotropic response of the lattice metri...

A simulation by Zhang et al. [IUCrJ (2015), 2, 322-326] has demonstrated that utilizing serial crystallography may turn one-dimensional powder diffraction from multiphase polycrystalline samples into three-dimensional single-crystal diffraction patterns.

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...

Atomic-resolution structures from small proteins have recently been determined from high-quality powder diffraction patterns using a combination of stereochemical restraints and Rietveld refinement [Von Dreele (2007), J. Appl. Cryst. 40, 133-143; Margiolaki et al. (2007), J. Am. Chem. Soc. 129, 11865-11871]. While powder diffraction data have been obtained from batch samples of small crystal-su...

CPD chairman’s message, Paolo Scardi 2 Editor’s message, Bill David 2 CPD projects: 3 Quantitative Phase Analysis RR, Ian Madsen Size-Strain RR, Davor Balzar WWW sites related to Powder Diffraction 3 IUCr Commission on Powder Diffraction 4 Structure determination from powder diffraction data Revisiting the 1998 SDPD Round Robin 7 A Le Bail and L M D Cranswick A 117-atom structure from powder di...

Following the seminal work of Von Dreele, powder X-ray diffraction studies on proteins are being established as a valuable complementary technique to single-crystal measurements. A wide range of small proteins have been found to give synchrotron powder diffraction profiles where the peak widths are essentially limited only by the instrumental resolution. The rich information contained in these ...

Due to their limited length of structural coherence nanocrystalline materials show very diffuse powder X-ray diffraction patterns that are difficult to interpret unambiguously. We demonstrate that a combination of high-energy X-ray powder diffraction and atomic pair distribution function analysis can be used to both assess the geometry (i.e., size and shape) and determine the internal atomic or...