~Crystallography~Prof.YuWangOffice:A507Telephone:3366-16532007.2.27~2007.6.15CrystallographyChapterI.IntroductionII.CrystalLattice

Directandreciprocallattice;latticecentering;Millerindices;cellorthorgonalizationIII.GroupTheoryApplicationSymmetry;classification;spacegroup;celltransformationIV.AtomicScattering

Scatteringamplitude;anomalousscattering;thermalvibrationV.CrystalDiffractionStructuralamplitudes;

centricandnon-centriccases;systematicabsencesVI.FourierSynthesisrelationshipbetweenstructuralamplitudesandelectrondensityVII.StructureDeterminationAnalysisDatacollection;datareduction,Phasedetermination,Fouriertransform,Leastsquares,Modelconstruction,Erroranalysis

VIII.SpecialtopicsReferences：1.Azoroff,“ElementsofX-rayCrystallograpy”2.Stout&Jensen,2ndEd.“X-rayStructureDetermination”3.Glusker&Trueblood,2ndEd.“CrystalStructureAnalysis”4.Giacovazzoetal,“FundamentalsofCrystallography”OxfordSci5.Mckie,“EssentialsofCrystallography”6.Ladd&Palmer,“StructureDeterminationbyX-rayCrystallography”7.晶體繞射研習會論文集8.“InternationalTablesforX-rayCrystallography”Vol1-4,A–Fonlineversionavailable

DataBank1.CCSD:organicandorganometalliccompdsICSD:inorganiccompdsPDB:proteindatabankPXRD:powderdataElectromagneticspectrumWhatisX-ray

X-rayTube

WhatisX-ray

WhatisX-ray

Whiteradiation

CharacteristicX-raySynchrotronradiationIncidentBeam(X-ray)AbsorbingSubstanceFluorescentX-raysTransmittedBamHeatScatteredX-raysElectronsUnmodified(Coherent)Comptonmodified(Incoherent)ComptonrecoilelectronsAugerelectronsPhotoelectronsIntroductionInteractionBetweenX-rayandmaterialAnalogiesbetweenlightmicroscopyandX-raydiffractionDiffractionpatternfromequidistantparallelslitsDiffractionpatternfromequidistantparallelslitsDiffractionpatternfromone-andtwo-dimensionalarraysRelationoftheCrystallatticeandReciprocallatticeMoleculesinRealspaceDiffractionpattern(reciprocalspace)X-rayprecessiondiagramofthehk0zoneofahexagonalcrystalofcatalasePenicilliumvitale(sp.Gr.P3121,a

145?,c180?),

9.CuK

radiation500?100?diffractionreciprocalspaceimagerealspaceBraggspectrometerBraggEquationwavenwavenw