We present single crystal neutron diffraction measurements on multiferroic LuFe(2)O(4). Magnetic reflections are observed below transitions at 240 and 175 K indicating that the magnetic interactions in LuFe(2)O(4) are three-dimensional in character. The magnetic structure is refined as a ferrimagnetic spin configuration below the 240 K transition. Below 175 K a significant broadening of the mag...

Neutron powder diffraction and single crystal x-ray resonant magnetic scattering measurements suggest that Dy plays an active role in enhancing the ferroelectric polarization in multiferroic DyMnO3 above T(Dy)(N)=6.5 K. We observe the evolution of an incommensurate ordering of Dy moments with the same periodicity as the Mn spiral ordering. It closely tracks the evolution of the ferroelectric po...

Powder neutron diffraction and magnetic susceptibility measurements at 10-300 K have been used to determine the crystal and magnetic structures of brownmillerite type Ca(2)Cr(2)O(5), which was obtained by reduction of the high pressure phase CaCrO(3) through hard-soft chemistry. The ambient temperature crystal structure of Ca(2)Cr(2)O(5) is refined in space group I2mb and the unusual tetrahedra...

We present a complete characterization of the unit cell dynamics of a laser-excited tellurium crystal using femtosecond x-ray diffraction. The analysis offers a quantitative measure of the unit cell dynamics without making any assumptions on the symmetry of the excited-state motion. The results show a large-amplitude coherently excited A(1) mode quantitatively consistent with the predictions of...

A coherent x-ray diffraction experiment was performed on an isolated colloidal crystal grain at the coherence beamline P10 at PETRA III. Using azimuthal rotation scans the three-dimensional (3D) scattered intensity from the sample in the far-field was measured. It includes several Bragg peaks as well as the coherent interference around these peaks. The analysis of the scattered intensity reveal...

We explore the unknown structure of phosphorus in phase IV (P-IV phase) based on first-principles calculations using the metadynamics simulation method. Starting from the simple cubic structure, we find a new modulated structure of the monoclinic lattice. The modulation is crucial to the stability of the structure. Through refining the structure further by changing the modulation period, we fin...

The large-pore iron(III) carboxylate MIL-100(Fe) with a zeotype architecture has been isolated under hydrothermal conditions, its structure solved from synchrotron X-ray powder diffraction data, while Friedel-Crafts benzylation catalytic tests indicate a high activity and selectivity for MIL-100(Fe).

Photocatalytic conversion of solar energy into chemical energy has attracted considerable interest for several decades. One compound already reported as a visible-light-active photocatalyst for water splitting is BiYWO6, a member of the Bi2-x Y x WO6 family of compounds. The structural and optical properties of other members of this family have not been reported to date. In this work, we synthe...

Crystals of di-μ-bromido-bis-[tetra-bromidotantalum(V)], (TaBr(5))(2), were obtained by recrystallization at 773 K. A first crystal structure study of (TaBr(5))(2) was reported by Rolsten [J. Am. Chem. Soc. (1958) ▶, 80, 2952-2953], who analysed the powder diffraction pattern and came to the conclusion that it crystallizes isotypically with (NbBr(5))(2) in a primitive ortho-rhom-bic cell. These...

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