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Crystal Structure Refinement: A Crystallographer's Guide to SHELXL

Peter Müller, Regine Herbst-Irmer, Anthony L. Spek, Thomas R. Schneider, and Michael R. Sawaya

Published in print:
2006
Published Online:
September 2010
ISBN:
9780198570769
eISBN:
9780191718809
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570769.001.0001
Subject:
Physics, Crystallography

This book covers advanced aspects of practical crystal structure refinement, focusing on practical problems in the everyday life of a crystallographer. After an introduction to SHELXL in the first ... More


Pseudo-Symmetry

Peter Müller

in Crystal Structure Refinement: A Crystallographer's Guide to SHELXL

Published in print:
2006
Published Online:
September 2010
ISBN:
9780198570769
eISBN:
9780191718809
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198570769.003.0006
Subject:
Physics, Crystallography

Having more than one molecule in the asymmetric unit occurs predominantly in space groups of low symmetry. In most of these cases, the independent molecules are not related by simple symmetry ... More


Refinement of crystal structures

David Watkin

in Crystal Structure Analysis: Principles and Practice

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199219469
eISBN:
9780191722516
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199219469.003.0013
Subject:
Physics, Crystallography

This chapter gives practical examples of structure refinement in crystallography. The fundamental equations are given, particularly for structure factors calculated from an atomic model of the ... More


Analysis of extended inorganic structures

John Evans

in Crystal Structure Analysis: Principles and Practice

Published in print:
2009
Published Online:
September 2009
ISBN:
9780199219469
eISBN:
9780191722516
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199219469.003.0014
Subject:
Physics, Crystallography

Extended (polymeric) inorganic structures present different problems to crystallographers than molecular structures. The samples are often tiny crystals, atomic scattering powers vary widely, and ... More


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