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Structure Determination from Powder Diffraction Data$
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W.I.F. David, K. Shankland, L.B. McCusker, and C. Bärlocher

Print publication date: 2006

Print ISBN-13: 9780199205530

Published to Oxford Scholarship Online: January 2010

DOI: 10.1093/acprof:oso/9780199205530.001.0001

Introduction

Chapter:
(p. 1 ) 1 Introduction
Source:
Structure Determination from Powder Diffraction Data
Author(s):

William I. F. David

Kenneth Shankland

Lynne B McCusker

Christian Baerlocher

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780199205530.003.0001

This chapter, which assumes a familiarity with basic crystallography, introduces the concept of structure determination from powder diffraction data. It does so by examining the ‘structure determination maze’, which describes the various possible routes that one can take from the polycrystalline sample to a refined crystal structure. In so doing, it introduces the various stages of the process that are discussed in much greater detail in subsequent chapters. Touching briefly on the relationship between single-crystal and powder structure solution methods, it concludes with a forward look to the range of applications of powder methods to structure determination problems in the particular area of molecular organic compounds.

Keywords:   crystal structure, powder diffraction, structure determination, structure determination maze, polycrystalline samples

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