XRay diffraction Erice Crystallography IT SupportX射线衍射晶体学支持艾瑞克.pptVIP

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XRay diffraction Erice Crystallography IT SupportX射线衍射晶体学支持艾瑞克.ppt

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XRay diffraction Erice Crystallography IT SupportX射线衍射晶体学支持艾瑞克

The Laue group The equivalent reflections are * The systematically absent reflections Since we have If hRs =h and hTs=n the relation (1) is violated unless the reflection h is a systematically absent reflection. The combination of the information on the Laue Group with that on the systematically absent reflections allows the determination of the Extinction Symbol. * The extinction symbols (ES) In the first position: cell Centric type ( e.g., P - - a , in orth.) Then the reflection conditions for each symmetry direction are given. Symmetry directions not having conditions are represented by a dash. A symmetry direction with conditions is represented by the symbol of the screw axis or glide plane. Table of ES are given in IT per crystal system. There are 14 ES for monoclinic, 111 for orthorhombic, 31 for tetragonal, 12 for trigonal-hexagonal, 18 for cubic system * Extinction symbol and compatible space groups ES P - - - P222, Pmmm, Pm2m, P2mm, Pmm2 (in orth.) P - - a Pm2a, P21ma, P mma (in orth.) P - - - P4, P-4, P4/m, (in tetrag.) P422, P4mm, P-42m, P-4m2 P4/mmm P61-- P61 P65 P6122 P6522 * Find the reflections with symmetry restricted phase valuesLook for the set of reflections for whichSince ?HR = ?H - 2 ? HTfor that set of reflections it will be ?-H = ?H -2 ? HT, or 2?H=2 ? HTor ?H = ? HT+ n? * Some exercises Find the rotation and translation matrices for the space group P41, and P31; Find the equivalent reflections for the same space groups; Find the systematically absent reflections for the space group P21/c, P41,P31, P212121 * The diffraction intensitiesIH = K1 K2 I0 L P T E |FH|2where