Complex inorganic structures from powder diffraction:case of tetrahydroborates of light metals
- 23 September 2011
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Kristallographie
- Vol. 226 (12), 882-891
- https://doi.org/10.1524/zkri.2011.1409
Abstract
Powder diffraction plays a central role in the characterization of light metal tetrahydroborates (borohydrides), novel boron based hydrides recognized as a potential solution for hydrogen storage. Numerous novel BH–4 based materials have been investigated during the past few years and this class of materials has a fascinating structural chemistry. We review the powder diffraction methods, problems and solutions which are specific for these weakly diffracting and badly crystallized materials. Examples of highlights and pitfalls of the powder diffraction are given. Complex structures with as many as 55 independent atoms were fully characterized, and P-T phase diagrams accessible from in-situ powder diffraction enable understanding of these ionic crystals with important directional bondingKeywords
This publication has 65 references indexed in Scilit:
- Experimental charge density of LiBDfrom maximum entropy methodPhysical Review B, 2011
- Structural and Dynamical Properties of NaBH4 and KBH4: NMR and Synchrotron X-ray Diffraction StudiesThe Journal of Physical Chemistry C, 2010
- The First Crystallographic and Spectroscopic Characterization of a 3d-Metal Borohydride: Mn(BH4)2The Journal of Physical Chemistry C, 2009
- Solving crystal structures of metal and chemical hydridesZeitschrift für Kristallographie, 2008
- A versatile sample-environment cell for non-ambient X-ray scattering experimentsJournal of Applied Crystallography, 2008
- Magnesium Borohydride: Synthesis and Crystal StructureAngewandte Chemie International Edition, 2007
- Direct space methods of structure determination from powder diffraction: principles, guidelines and perspectivesZeitschrift für Kristallographie - Crystalline Materials, 2007
- Charge flipping combined with histogram matching to solve complex crystal structures from powder diffraction dataZeitschrift für Kristallographie, 2007
- Automatic structure determination from powder data withEXPO2004Journal of Applied Crystallography, 2004
- Nomenclature of Inorganic Boron CompoundsPublished by Walter de Gruyter GmbH ,1972