Publication

The rule of four: anomalous distributions in the stoichiometries of inorganic compounds

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The novel iridate Ba8Al2IrO14 was prepared as single crystals by self-flux method, thereby providing a rare example of an all-Ir(VI) compound that can be synthesized under ambient pressure conditions. The preparation of all-Ir6+ iridate without using tradi ...

2015

Serial snapshot crystallography for materials science with SwissFEL

Philip Pattison

New opportunities for studying (sub) microcrystalline materials with small unit cells, both organic and inorganic, will open up when the X-ray free electron laser (XFEL) presently being constructed in Switzerland (SwissFEL) comes online in 2017. Our synchr ...

Int Union Crystallography2015

Consequences of Broken Translational Symmetry in FeSexTe1-x

Marco Grioni, Luca Moreschini, Ping-Hui Lin, Davide Innocenti

We investigate the consequences of broken translational symmetry in the superconductor FeSexTe1-x using angle-resolved photoemission spectroscopy. We find that the intensity does not follow the periodicity dictated by the crystal structure, owing to the fo ...

Amer Physical Soc2014

Impact of heterocirculene molecular symmetry upon two-dimensional

Despite the development of crystal engineering, it remains a great challenge to predict the crystal structure even for the simplest molecules, and a clear link between molecular and crystal symmetry is missing in general. Here we demonstrate that the two-d ...

Nature Publishing Group2014

Vortex lattice structure in BaFe2(As0.67P0.33)(2) via small-angle neutron scattering

Jonathan White

We have observed a magnetic vortex lattice (VL) in BaFe2(As0.67P0.33)(2) (BFAP) single crystals by small-angle neutron scattering. With the field along the c axis, a nearly isotropic hexagonal VL was formed in the field range from 1 to 16 T, and no symmetr ...

Amer Physical Soc2014

Nickel(II) and copper(II) complexes of two unsymmetrical tetradentate Schiff base ligands [Ni(Me-salabza)] (1), [Cu(Me-salabza)] (2) and [Ni(salabza)] (3), {H(2)salabza = N,N'-bis[(salicylidene)-2-aminobenzylamine] and H2Me-salabza = N,N'-bis[(methylsalicy ...

Springer2014

We employed ab initio global structural prediction algorithms to obtain the ground-state structure of CuBO2 This is a very promising p-type transparent conductive oxide that was synthesized recently, and thought to belong to the delafossite family. We prov ...

Cambridge University Press2013

Powder crystallography of pharmaceutical materials by combined crystal structure prediction and solid-state H-1 NMR spectroscopy

David Lyndon Emsley

A protocol for the ab initio crystal structure determination of powdered solids at natural isotopic abundance by combining solid-state NMR spectroscopy, crystal structure prediction, and DFT chemical shift calculations was evaluated to determine the crysta ...

ROYAL SOC CHEMISTRY2013

Analysis of the low-frequency spectrum of the cubic noncentrosymmetric ferrimagnet Cu2OSeO3

Helmuth Berger

The IR reflectance spectra of the cubic noncentrosymmetric ferrimagnet Cu2OSeO3 (T-C approximate to 60 K) were investigated in the temperature range 10-80 K. Detailed analysis of the symmetry and composition of vibrational modes was conducted on the basis ...

2012

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Two new isostructural layered oxohalides FeTe3O7X (X = Cl, Br) were synthesized by chemical vapor transport reactions, and their crystal structures and magnetic properties were characterized by single-crystal X-ray diffraction, Raman spectroscopy, magnetic ...

2011