Brian H. Toby

TL;DR: A description and justification of the EXPGUI program, which implements a graphical user interface and shell for the GSAS single-crystal and Rietveld package using the Tcl/Tk scripting language, is presented.

TL;DR: The newly developed GSAS-II software is a general purpose package for data reduction, structure solution and structure refinement that can be used with both single-crystal and powder diffraction data from both neutron and X-ray sources, including laboratory and synchrotron sources, collected on both two- and one-dimensional detectors.

TL;DR: In this article, it is shown that while the Rietveld error index values indicate a better fit of a model to the data, wrong models with poor quality data may exhibit smaller values error index value than some superb models with very high quality data.

TL;DR: This research opens up a new class of multiferroics in which the electrical ordering is achieved by means of hydrogen bonding, and the compounds become canted weak ferromagnets below 40 K.

TL;DR: The framework of the titanium silicate ETS-4, the first member of this class of materials, can be systematically contracted through dehydration at elevated temperatures to ‘tune’ the effective size of the pores giving access to the interior of the crystal, which can be used to tailor the adsorption properties of the materials to give size-selective adsorbents suitable for commercially important separations of gas mixtures of molecules with similar size.