AbstractAbstract
[en] Selected ternary tantalum-rich chalcogenide systems were systematically explored by application of high temperature synthesis techniques. The layered metal-rich chalcogenides Ta2(Se,Te), Ta2(S,Se), Ta9(S,Se)4, Ta5(S,Se)2, and (M,Ta)5S2 (M = Mo, W) were uncovered and characterized by means of X-ray diffraction. The phase relations in the tantalum-rich section of the Ta-S-Se system were unravelled and the homogeneity ranges of five sulfide selenides were delimited. Electrical resistivities of polycrystalline single phase samples were measured within the range 15 to 320 K. The structures of the phases represent specific tetragonal order variants of the b.c.c.-structure of the elemental metals. Two-dimensional fragments of b.c.c.-tantalum are sandwiched by layers of chalcogen Q, thus forming Ta4Q2 or (M,Ta)5Q2 slabs as found in Ta2Se or (Nb,Ta)5S2. The cohesion of the slabs is, in accordance with the results of electronic band structure calculations (EH approximation) for Ta2Se, provided by van der Waals interactions. The new structure type of Ta9(S,Se)4 results from a coherent chemical 1:1 intergrowth of Ta4Q2 and Ta5Q2. The structure was determined from X-ray intensities of a polycrystalline sample. The structural changes associated with the replacement of selenium by tellurium in Ta2Se-like Ta2Se0.66Te0.34 were studied in detail on the basis of a precise single crystal structure analysis. (orig.)
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Unusual valence states in solid state materials.
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AbstractAbstract
[en] Hf2Te was prepared by arc-melting appropriate compressed mixtures of HfTe2 and hafnium. The structure of the new hafnium-rich telluride was determined by means of powder diffractometry, RB=0.0565. Hf2Te adopts a Nb2Se-type structure, monoclinic, space group C2/m, Z=8, Pearson symbol mS24, a=1516.3(2) pm, b=370.26(4) pm, c=1006.4(1) pm, β=90.50(1) . The structure comprises pairwise interpenetrating columns of trans-face-shared centred Hf9 cuboids. The columns form puckered slabs which are interconnected by homo- and heteronuclear bonds. Tellurium atoms are one-sidedly coordinated by six hafnium atoms. The coordination configurations about the two distinct tellurium atoms represent Hf6Te hypho-fragments of a tri-capped trigonal prismatic Hf9Te closo-cluster. Characteristic features of four other M2Q structure types are elucidated. The valence electron concentration available for metal-metal bonding together with the cohesive energy of the respective metal are found to control the formation of the various M2Q metal partial structures. (orig.)
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Von Dreele, R.B.; Besnard, C.; Basso, S.; Camus, F.; Pattison, P.; Schiltz, M.; Wright, J.P.; Margiolaki, R.; Fitch, A.N.; Fox, G.C.; Prugoveeki, S.; Beckers, D.; Helliwell, J.R.; Helliwell, M.; Jones, R.H.; Roberts, M.A.; Miura, K.; Kahn, R.; Giacovazzo, C.; Altomare, A.; Caliandro, R.; Camalli, M.; Cuocci, C.; Moliterni, A.G.G.; Rizzi, R.; Hinrichsen, B.; Kern, A.; Coelho, A.A.; Degen, T.; Kokkinidis, M.; Fadouloglou, V.; Gazi, A.; Panopoulos, N.; Pinotsis, N.; Wilmanns, M.; Norrman, M.; Schluckebier, G.; Prugoveeki, B.; Dilovic, J.; Matkovic-Calogovic, D.; Bill, David; Markvardsen, A.; Grosse-Kunstleve, R.; Rius, J.; Glykos Nicholas, M.; Murshudov, G.N.
European Synchrotron Radiation Facility (ESRF), 38 - Grenoble (France)2007
European Synchrotron Radiation Facility (ESRF), 38 - Grenoble (France)2007
AbstractAbstract
[en] X-ray diffraction is one of the most important method for obtaining information about the structure of proteins and thereby for gaining insight into fundamental biological and biochemical mechanisms. This seminar was dedicated to X-ray powder diffraction and was organized around 6 sessions: 1) what can powder diffraction do for proteins?, 2) adapting experimentally to proteins, 3) interpreting powder data, 4) the world of protein crystallography, 5) advancing methods for powder data analysis, and 6) transferable methods from single crystals. This document gathers the abstracts of the 23 papers presented. (A.C.)
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2007; 28 p; Development and directions of powder diffraction on proteins; Grenoble (France); 22-23 Jun 2007
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Miscellaneous
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