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Orthorhombic Symmetry (orthorhombic + symmetry)
Selected AbstractsThe ,-to-, Transition in BiFeO3: A Powder Neutron Diffraction StudyADVANCED FUNCTIONAL MATERIALS, Issue 13 2010Donna C. Arnold Abstract High-temperature powder neutron diffraction experiments are conducted around the reported ,,, phase transition (,930,°C) in BiFeO3. The results demonstrate that while a small volume contraction is observed at the transition temperature, consistent with an insulator,metal transition, both the ,- and ,-phase of BiFeO3 exhibit orthorhombic symmetry; i.e., no further increase of symmetry occurs during this transition. The ,-orthorhombic phase is observed to persist up to a temperature of approximately 950,°C before complete decomposition into Bi2Fe4O9 (and liquid Bi2O3), which subsequently begins to decompose at approximately 960,°C. [source] Structural study of ferroelectric and paraelectric phases in PbK2LiNb5O15PHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Issue 11 2004Y. Gagou Abstract The structures of PbK2LiNb5O15 showing the ferroelectricity below about 640 K have been studied in the paraelectric and ferroelectric phases by means of synchrotron X-ray powder diffraction. The data are analyzed with a Rietveld refinement method. It is found that the paraelectric structure and the ferroelectric one are of tetragonal and orthorhombic symmetry with P4/mbm and Pba2, respectively. The Pba2 structure gives a polar displacement along c -axis, whose direction is consistent with that deduced from dielectric measurements. The refined chemical occupancies of the cations Pb, K and Nb give the site-situation of these ions in the tunnels with square sections and pentagonal sections in each phase. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] EPR study of Fe3+ centers in ternary layered TlInS2 single crystalPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 12 2004F.A. Mikailov Abstract An iron doped TlInS2 single crystal has been studied at room temperature by Electron Paramagnetic Resonance (EPR) technique. The fine structure of EPR spectra of the paramagnetic Fe3+ ions was observed. The spectra were interpreted to correspond to the transitions among the spin multiplets (S=5/2, L=0) of the Fe3+ ion, which is split in the local ligand crystal field (CF) of orthorhombic symmetry. Four equivalent Fe3+ centers have been observed in the EPR spectra and the local symmetry of crystal field at the Fe3+ site and the CF parameters were determined. It was established that the symmetry axis of the axial component in the CF is making an angle of about 48 degree with the (ab) plane of TlInS2 crystal. Experimental results indicate that Fe ions substitute for In ions at the center of the InS4 tetrahedrons, and the rhombic distortion of the CF is caused by Tl ions located in the trigonal cavities between the tetrahedral complexes. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] X-ray structure determination of the monoclinic (121,K) and orthorhombic (85,K) phases of langbeinite-type dithallium dicadmium sulfateACTA CRYSTALLOGRAPHICA SECTION B, Issue 6 2000A. Guelylah The structures of the monoclinic and the orthorhombic phases of type I langbeinite Tl2Cd2(SO4)3 have been determined at 121 and 85,K, respectively, by X-ray diffraction. A precise analysis of these structures shows the existence of some differences compared to langbeinites of type II. The monoclinic structure differs very little from the high-temperature cubic structure and the distortion relating the monoclinic structure to the cubic one is very small. SO4 tetrahedra seem to rotate under orthorhombic symmetry in the monoclinic phase. A symmetry distortion analysis of the ferroelectric monoclinic distortion discloses the importance of the secondary modes with orthorhombic symmetry, especially for the O atoms of the SO4 groups. [source] Polymorphism of microcrystalline urate oxidase from Aspergillus flavusACTA CRYSTALLOGRAPHICA SECTION D, Issue 5 2010Ines Collings Different polymorphs of rasburicase, a recombinant urate oxidase enzyme (Uox) from Aspergillus flavus, were obtained as a series of polycrystalline precipitates. Different crystallization protocols were followed in which the salt type, pH and polyethylene glycol 8000 (PEG 8000) concentration were varied. The related crystalline phases were characterized by means of high-resolution synchrotron X-ray powder diffraction. In all cases, Uox complexed with the inhibitor 8-azaxanthine (AZA) was not altered from its robust orthorhombic I222 phase by variation of any of the factors listed above. However, in the absence of AZA during crystallization ligand-free Uox was significantly affected by the type of salt, resulting in different crystal forms for the four salts tested: sodium chloride, potassium chloride, ammonium chloride and ammonium sulfate. Remarkable alterations of some of these phases were observed upon gradual increase of the exposure time of the sample to the synchrotron beam in addition to variation of the PEG 8000 concentration. When Uox was crystallized in Tris buffer or pure water in the absence of salt, a distinct polymorph of orthorhombic symmetry (P21212) was obtained that was associated with significantly altered lattice dimensions in comparison to a previously reported isosymmetrical structure. The latter form of Uox exhibits enhanced stability to variation of pH and PEG 8000 concentration accompanied by minor modifications of the unit-cell dimensions in the ranges under study. Accurate lattice parameters were extracted for all crystalline phases. This study reveals the rich phase diagram of Uox, a protein of high pharmaceutical importance, which is associated with an enhanced degree of polymorphism. The outcome of our analysis verifies previously reported results as well as demonstrating polymorphs that have altered unit-cell dimensions with respect to known structural models. [source] Crystallization and preliminary X-ray analysis of a complex formed between the antibiotic simocyclinone D8 and the DNA breakage,reunion domain of Escherichia coli DNA gyraseACTA CRYSTALLOGRAPHICA SECTION F (ELECTRONIC), Issue 8 2009Marcus J. Edwards Crystals of a complex formed between the 59,kDa N-terminal fragment of the Escherichia coli DNA gyrase A subunit (also known as the breakage,reunion domain) and the antibiotic simocyclinone D8 were grown by vapour diffusion. The complex crystallized with I -centred orthorhombic symmetry and X-ray data were recorded to a resolution of 2.75,Å from a single crystal at the synchrotron. DNA gyrase is an essential bacterial enzyme and thus represents an attractive target for drug development. [source] Expression, purification, crystallization and preliminary X-ray analysis of a nucleoside kinase from the hyperthermophile Methanocaldococcus jannaschiiACTA CRYSTALLOGRAPHICA SECTION F (ELECTRONIC), Issue 6 2005Linda Arnfors Methanocaldococcus jannaschii nucleoside kinase (MjNK) is an ATP-dependent non-allosteric phosphotransferase that shows high catalytic activity for guanosine, inosine and cytidine. MjNK is a member of the phosphofructokinase B family, but participates in the biosynthesis of nucleoside monophosphates rather than in glycolysis. MjNK was crystallized as the apoenzyme as well as in complex with an ATP analogue and Mg2+. The latter crystal form was also soaked with fructose-6-phosphate. Synchrotron-radiation data were collected to 1.70,Å for the apoenzyme crystals and 1.93,Å for the complex crystals. All crystals exhibit orthorhombic symmetry; however, the apoenzyme crystals contain one monomer per asymmetric unit whereas the complex crystals contain a dimer. [source] Preliminary crystallographic studies of glucose dehydrogenase from the promiscuous Entner,Doudoroff pathway in the hyperthermophilic archaeon Sulfolobus solfataricusACTA CRYSTALLOGRAPHICA SECTION F (ELECTRONIC), Issue 1 2005Alex Theodossis The hyperthermophilic archaeon Sulfolobus solfataricus grows optimally above 353,K and can metabolize glucose and its C4 epimer galactose via a non-phosphorylative variant of the Entner,Doudoroff pathway involving catalytically promiscuous enzymes that can operate with both sugars. The initial oxidation step is catalysed by glucose dehydrogenase (SsGDH), which can utilize both NAD and NADP as cofactors. The enzyme operates with glucose and galactose at similar catalytic efficiency, while its substrate profile also includes a range of other five- and six-carbon sugars. Crystals of the 164,kDa SsGDH homotetramer have been grown under a variety of conditions. The best crystals to date diffract to 1.8,Å on a synchrotron source, have orthorhombic symmetry and belong to space group P21212. Attempts are being made to solve the structure by MAD and MR. [source] | |||||||||||||