Damaged goods? Detailed knowledge of the cofactor conformation is essential for the functional analysis of flavoenzyme crystal structures. However, photoelectrons generated by X-rays during crystal-data collection can reduce the flavin cofactor and thus change its geometry (see picture). Monitoring of the flavin vibrational modes by Raman spectroscopy during X-ray crystal-data collection provided important information on the actual flavin state.

An orthorhombic (space group Pnnm) boron phase was synthesized at pressures above 9 GPa and high temperature, and it was demonstrated to be stable at least up to 30 GPa. The structure, determined by single-crystal x-ray diffraction, consists of B₁₂ icosahedra and B₂ dumbbells. The charge density distribution obtained from experimental data and ab initio calculations suggests covalent chemical bonding in this phase.

Materials that expand when compressed are rare, and are the result of liquid molecules being incorporated into nanoscale pores. The phenomenon has been previously observed in materials such as zeolites, where small unit-cell increases of around 2% have been reported.

Physico-chemical characterization of the high-silica zeolite catalyst SSZ-74  suggested that it, like the related materials TNU-9  and IM-5 , has a multidimensional 10-ring channel system. Such pore systems are ideal for many petrochemical applications, and indeed SSZ-74 has been shown to be a good catalyst for a wide variety of reactions   (Nature Materials, 2008)

An in situ combined high-temperature high-pressure synchrotron radiation diffraction study has been
carried out on LiBH₄. The phase diagram of LiBH₄ is mapped to 10  GPa and 500  K, and four phases
are identified. The corresponding structural distortions are analyzed in terms of symmetry-breaking
atomic position shifts and anion ordering. Group-theoretical and crystal-chemical considerations reveal
a nontrivial layered structure of LiBH₄. The layers and their deformations define the structural stability of the observed phases.
   (Phys. Rev. B, 2008)

Using high-pressure synchrotron powder diffraction, two new modifications of LiBH4 have been found.
The phase observed at 1.2–10 GPa reveals a novel structural arrangement, where the BH4 group
has an unprecedented square coordination by four Li atoms. The structure exhibits a strikingly
short H···H contact between adjacent BH4 anions, and may show completely different
hydrogen-storage properties if stabilized by chemical substitution at ambient pressure.
(Angew. Chem. Int., 2008)

Location and disorder of hydrogen atoms in H-rich material, LiBH4, has been established by the scientists of SNBL 
(Yaroslav Filinchuk, Dmirty Chernyshov). This work was awarded a Poster Prize by Oxford Cryosystems at
the 24th European Crystallographic Meeting held in Marrakech in August 2007

Giant swelling in MOF materials. The reversible "breathing" motion was analyzed in terms of cell dimensions
(extent of breathing), movements within the framework (mechanism of transformation), and the interactions
between the guests and the skeleton. In situ techniques show that these flexible solids are highly selective      absorbents and that this selectivity is strongly dependent on the nature of the organic linker
( Science, 2007 )

Structure solved by enhanced charge. Presentation a charge-flipping structure-solution algorithm,
extended to facilitate the combined use of powder diffraction and electron microscopy data.
( Science, 2007 )

Complex phenomena in simple metals. A combined in situ high-temperature high-pressure synchrotron
radiation diffraction study has been carried out on In alloys with Cd, Pb, and Sn. The negative thermal
expansion of In and some of the In alloys is a phase-dependent effect resulting from a competition between
spontaneous strain induced by a proper ferroelastic transformation and normal thermal expansion.( Phys.Rev. B, 2007 )

Raman-Assisted Crystallography. The impact of X-radiation on crystalline taurine has been investigated by time
resolved synchrotron X-ray powder and single crystal diffraction and Raman spectroscopy. Multiple data sets
have been collected at 120 and 296 K.  PCCP, 2007)