A simple route to full structural analysis of biophosphates and their application to materials discovery.

An integrated suite of synthesis and characterisation techniques that includes synchrotron-based single crystal, powder X-ray diffraction, nuclear magnetic resonance and electron diffraction have been employed to uncover two new distinct structures in the Ca(x)Ba(2-x)P(2)O(7) polymorphic phosphate system. These materials have particular relevance for their application as both biomaterials and phosphors. Calcium barium pyrophosphate, CaBaP(2)O(7), was shown by a combination of spectroscopic and diffraction techniques to have two polymorphs distinct in structure from all of the five previously reported polymorphs of Ca, Sr and Ba pyrophosphate.

A new method to position and functionalize metal-organic framework crystals.

With controlled nanometre-sized pores and surface areas of thousands of square metres per gram, metal-organic frameworks (MOFs) may have an integral role in future catalysis, filtration and sensing applications. In general, for MOF-based device fabrication, well-organized or patterned MOF growth is required, and thus conventional synthetic routes are not suitable. Moreover, to expand their applicability, the introduction of additional functionality into MOFs is desirable.

Periodic mesoporous Li(x)(Mn(1/3)Ni(1/3)Co(1/3))O2 spinel.

A monoclinic periodic mesoporous Li(x)(Mn(1/3)Ni(1/3)Co(1/3))O(2) spinel has been successfully prepared for the first time using a 'two solvents' pore infiltration methodology on hard silica templates. More commonly used synthetic techniques are not applicable to this complex material. This important battery cathode has a surface area of over 180 m(2)g(-1) and a pore size of 5.

Electron diffraction and microscopy study of the structure and microstructure of the hexagonal perovskite Ba3Ti2MnO9.

This paper reports a structural and microstructural investigation of the hexagonal perovskite Ba(3)Ti(2)MnO(9) using electron microscopy and diffraction. Convergent-beam electron diffraction (CBED) revealed the structure has the non-centrosymmetric space group P6(3)mc (186) at room temperature and at approximately 110 K. Compared with the centrosymmetric parent structure BaTiO(3), with space group P6(3)/mmc, this represents a break in mirror symmetry normal to the c axis.

Structure and microstructure of hexagonal Ba3Ti2RuO9 by electron diffraction and microscopy.

We have used electron microscopy and diffraction to refine the structure and investigate the microstructure of Ba(3)Ti(2)RuO(9). The parent compound is hexagonal BaTiO(3) with the space group P6(3)/mmc. Using convergent-beam electron diffraction (CBED) combined with electron-sensitive image plates we have found that the space group of Ba(3)Ti(2)RuO(9) is the non-centrosymmetric group P6(3)mc at room temperature and at approximately 110 K.

Coherent inelastic scattering in Si and TiAl.

An image filter has been used to test a simple model describing the dynamical scattering of electrons that have suffered multiple interactions with plasmons. Semi-quantitative agreement is observed in both Si and TiAl under quasi two-beam conditions. In the latter material it is shown that the classical Hirsch, Howie, Whelan analysis of contrast due to dislocations can be carried out in images produced by electrons that have suffered as many as five interactions with plasmons and at thicknesses at which the unfiltered and zero loss images show no contrast.