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An in situ XAFS cell was developed and used for the structural analysis of a Rh ion-exchanged zeolite catalyst during high-pressure hydrogenation of carbon dioxide. The in situ cell enabled analyses of the catalyst structures that changed with the reaction atmosphere and elapsed time; the peak assigned to Rh-O scattering changed to that assigned to Rh-Rh scattering at 404 K during the pretreatment by hydrogen. After 30 min of the carbon dioxide hydrogenation reaction, the peak intensity assigned to Rh-Rh scattering increased corresponding to the increase in the catalytic activity.

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Tobacco necrosis virus (TNV) with icosahedral T = 3 symmetry resembles southern bean mosaic virus (SBMV). TNV proteins have more disordered residues interacting with RNA than those of SBMV.

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The structure of human NADH-cytochrome b5 reductase at 1.75 Å resolution is the same as that of rat NADH-cytochrome b5 reductase except for a large main-chain shift caused by a Pro268Thr substitution. Five mutations seem to be related to cytochrome b5.

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The crystal structure of bismuth tungstate, Bi2W2O9, has been examined by 1 MV high-resolution electron microscopy. The symmetry is orthorhombic with lattice parameters a = 5.43, b = 5.41 and c = 23.7 Å and space group Pna21. The point group is determined directly from the images in which each cation site is resolved. The structure is similar to that of conventional layered Bi compounds with respect to the Bi2O2 sheets normal to the c axis; however, the layer between the sheets is of a deformed ReO3 type. The strong chemical bonds between the Bi ions and the apex O atoms cause the rotation of the WO6 octahedron about the c axis. W ions are displaced antiparallel in the WO3 layer.

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By combining 1 MeV high-voltage-high-resolution electron microscopy with convergent-beam electron diffraction (CBED), the crystal structure of a perovskite-related compound, Ca4YFe5O13, is determined. The crystal has orthorhombic symmetry with lattice parameters a = 5.46, b = 37.4 and c = 5.54 Å. The space group is determined to be centrosymmetric Pnma by selecting the point group from the CBED patterns. The structure images taken from two principle-axis directions, which are interpreted on the basis of the calculated images, reveal that the structure consists of a succession of the stacking of FeO6 octahedra (O layer) and FeO4 tetrahedra (T layer) and is represented by the stacking sequence of ...OTOOTOTOOTO... along the b axis repeated at intervals of 37.4 Å. It is shown that the Ca4YFe5O13 crystal structure can be described in terms of unit-cell-level twinning of Ca2Fe2O5.

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Acta Cryst. (1981). A37, C303
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The superstructure of titanium sesquisulfide, TiS1.46, is derived on the basis of 1 MV and 100 kV high-resolution electron microscope images. The crystal has monoclinic symmetry (pseudo-hexagonal) with lattice parameters a = 5-92, b = 10.3, c = 22.8 Å and [beta] = 90°. The space group is Cc. The metal vacancies are confined to every second metal layer and ordered within the layer. They are arranged in a stacking sequence of the 4C-type along the c axis. The sulfur atoms are in the 4H-type stacking sequence along the c axis.

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The space group and atom configuration of monoclinic Na2Ti9O19 have been studied by combining 1 MeV high-resolution electron microscope imaging with the convergent-beam electron diffraction (CBED) technique. The crystal has monoclinic symmetry with lattice parameters a = 12.2, b= 3.78, c = 15.6 Å and [beta]= 105°. The space group was determined uniquely to be centrosymmetric C2/m by selecting the point group from the symmetry of the CBED pattern. On the basis of the 1 MeV structure-image observation reported previously and the space-group determination, the crystal structure of monoclinic Na2Ti9O19 is proposed and atom coordinates are given.

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The structure of a novel type of boron nitride whisker was determined by transmission electron microscopy. The whiskers were found to be helical cones with a square-like apical defect.

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Electron nanodiffraction and high-resolution imaging evidence is presented to support a new structural form of multiwall boron nitride nanotubes that consist of two helices; one is highly crystalline and faceted and the other is circular and less ordered.


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Ferredoxin I crystallizes in space group P21 with two molecules per asymmetric unit. Refinement by molecular dynamics simulation gave a final R factor of 17% with X-ray data up to 1.8 Å.

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