Electron crystallography : [proceedings of the NATO Advanced Study Institute on Electron Crystallography, Erice, Sicily, 22 May - 2 June, 1997

The re-emergent field of quantitative electron crystallography is described by some of its most eminent practitioners. They describe the theoretical framework for electron scattering, specimen preparation, experimental techniques for optimum data collection, the methodology of structure analysis and refinement, and a range of applications to inorganic materials (including minerals), linear polymers, small organic molecules (including those used in nonlinear optical devices), incommensurately modulated structures (including superconductors), alloys, and integral membrane proteins. The connection between electron crystallography and X-ray crystallography is clearly defined, especially in the utilisation of the latest methods for direct determination of crystallographic phases, as well as the unique role of image analysis of high-resolution electron micrographs for phase determination. Even the aspect of multiple beam dynamic diffraction (once dreaded because it was thought to preclude __ab initio__ analysis) is considered as a beneficial aid for symmetry determination as well as the elucidation of crystallographic phases, and as a criterion for monitoring the progress of structure refinement. Whereas other texts have hitherto preferentially dealt with the analysis of electron diffraction and image data from thin organic materials, this work discusses - with considerable optimism - the prospects of looking at `harder' materials, composed of heavier atoms. __Audience:__ Could be used with profit as a graduate-level course on electron crystallography. Researchers in the area will find a statement of current progress in the field. Front Matter....Pages i-xviii The Development of Electron Crystallography — in memory of Boris Konstantinovich Vainshtein (1921–1996)....Pages 1-14 Solid State Structures....Pages 15-28 Image Formation and Image Contrast in HREM....Pages 29-39 Electron Microscopy Techniques....Pages 41-54 Definition, Measurement and Calculation of Intensities in Electron Diffraction....Pages 55-64 Convergent Beam Electron Diffraction Basic principles....Pages 65-75 Convergent-Beam Electron Diffraction....Pages 77-113 Image Simulation in High Resolution Transmission Electron Microscopy....Pages 115-130 The Phase Problem of X-ray Crystallography: Overview....Pages 131-138 The Effects of Symmetry in Real and Reciprocal Space....Pages 139-150 Obtaining Phases from Electron Microscopy for Solving Protein Structures....Pages 151-162 Crystal Structure Determination by Crystallographic Image Processing: I. HREM images, structure factors and projected potential ....Pages 163-172 Crystal Structure Determination by Crystallographic Image Processing: II. Compensate for defocus, astigmatism and crystal tilt ....Pages 173-181 An Introduction to Maximum Entropy in Action....Pages 183-191 Multi-Dimensional Direct Methods....Pages 193-202 Crystal Structure Determination by Two-Stage Image Processing....Pages 203-211 Success is Not Guaranteed — Practical Matters for Direct Phase Determination in Electron Crystallography....Pages 213-217 Crystal Structure Refinement Incorporating Chemical Information....Pages 219-230 Least Squares Refinement of Structures from Dynamic Electron Diffraction Data....Pages 231-241 Fourier Refinement in Electron Crystallography....Pages 243-246 Structure Refinement Through Matching of Experimental and Simulated HRTEM Images....Pages 247-260 Direct Methods Versus Electron Diffraction : The First Experiences by SIR97....Pages 261-272 Structure Determination by Electron Crystallography Using a Simulation Approach Combined with Maximum Entropy with the Aim of Improving Material Properties....Pages 273-284 Multi-Dimensional Electron Crystallography of Bi-Based Superconductors....Pages 285-294 Structure Determination by Maximum Entropy and Likelihood....Pages 295-304 Crystallographic Image Processing on Minerals....Pages 305-312 Electron Diffraction in Polymer Crystal Structure Analysis: Some Examples....Pages 313-322 Membrane Proteins Solved by Electron Microscopy and Electron Diffraction....Pages 323-342 The Need for Electron Crystallography in Mineral Sciences....Pages 343-352 Electron Diffraction of Mineral Structures and Textures....Pages 353-357 Structural Electron Microscopy Characterization of the Ternary Compound S 4 In 2 Zn Obtained By Chemical Transport....Pages 359-362 Diffraction Contrast in TEM Images of Modulated Semiconductor Alloys....Pages 363-366 Electron Crystallography of a Metal Azo Salt Pigment....Pages 367-370 Systematic Study of Metal Particles (Pt, Ni) Contrast on Amorphous Support (Silica) Using Multislice....Pages 371-374 First Steps in the Structure Determination of an Oxycarbonate Superconductor from Electron Diffraction Intensities....Pages 375-378 Effects of Local Crystallography on Stress-Induced Voiding in Passivated Copper Interconnects....Pages 379-382 How to Determine Reliable Intensities Using Film Methods?....Pages 383-387 Surface Structures Solved by Direct Methods....Pages 389-392 Modulated Structure Determination of Pb-1212 and Pb-1223 by Electron Crystallographic Image Processing....Pages 393-396 Tem Studies of the Early Stages of Precipitation in Al-Mg-Si Alloys in Comparison with Electron Radiation Damage Effects....Pages 397-400 Structural Models of τ 2 -Inflated Monoclinic and Orthorhombic Al-Co Phases....Pages 401-404 Electron Microscopy of Thin Protein Crystals from Vapour Diffusion ‘Hanging Drops’ Provides Structural Information at Intermediate Resolution....Pages 405-406 Structural Modulations in the Sr-Ca-Cu-O System Characterized by HRTEM....Pages 407-410 Investigation of Defects in Plastically Deformed Ni 3 Al by TEM Tilting Experiments....Pages 411-414 Oxidation in-Situ of Nb 12 O 29 into a High Resolution Microscope....Pages 415-418 Electron Diffraction Patterns of Natural Antigorites: A Still Unknown Modulated Crystal Structure....Pages 419-422 Exact Atom Positions by Electron Microscopy?....Pages 423-426 WINREKS — A Computer Program for the Reciprocal Lattice Reconstruction from a Set of Electron Diffractograms....Pages 427-430 Crystallographic Phase Transitions in Laser Irradiated Cerium Dioxide....Pages 431-434 Back Matter....Pages 435-439

The re-emergent field of quantitative electron crystallography is described by some of its most eminent practitioners. They describe the theoretical framework for electron scattering, specimen preparation, experimental techniques for optimum data collection, the methodology of structure analysis and refinement, and a range of applications to inorganic materials (including minerals), linear polymers, small organic molecules (including those used in nonlinear optical devices), incommensurately modulated structures (including superconductors), alloys, and integral membrane proteins. The connection between electron crystallography and X-ray crystallography is clearly defined, especially in the utilisation of the latest methods for direct determination of crystallographic phases, as well as the unique role of image analysis of high-resolution electron micrographs for phase determination. Even the aspect of multiple beam dynamic diffraction (once dreaded because it was thought to preclude ab initio analysis) is considered as a beneficial aid for symmetry determination as well as the elucidation of crystallographic phases, and as a criterion for monitoring the progress of structure refinement. Whereas other texts have hitherto preferentially dealt with the analysis of electron diffraction and image data from thin organic materials, this work discusses - with considerable optimism - the prospects of looking at 'harder' materials, composed of heavier atoms.
Audience: Could be used with profit as a graduate-level course on electron crystallography. Researchers in the area will find a statement of current progress in the field.

Proceedings of the NATO Advanced Study Institute, Erice, Sicily, 22 May-2 June 1997