The art of solving a structure from powder diffraction data has developed rapidly over the last ten years to the point where numerous crystal structures, both organic and inorganic, have been solved directly from powder data. However, it is still an art and, in contrast to its single crystal equivalent, is far from routine. The art lies not only in the correct application of a specific experimental technique or computer program, but also in the selection of the optimal path for the problem at hand. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Edited by:
W.I.F. David ( ISIS Facility Rutherford Appleton Laboratory Chilton Didcot),
K. Shankland (,
ISIS Facility,
Rutherford Appleton Laboratory,
Chilton,
Didcot),
L.B. McCusker (,
Laboratory of Crystallography,
ETH Zurich,
Switzerland),
C. Bärlocher (,
Laboratory of Crystallography,
ETH Zurich,
Switzerland)
Imprint: Oxford University Press
Country of Publication: United Kingdom
Volume: 13
Dimensions:
Height: 235mm,
Width: 157mm,
Spine: 19mm
Weight: 540g
ISBN: 9780199205530
ISBN 10: 0199205531
Series: International Union of Crystallography Monographs on Crystallography
Pages: 358
Publication Date: 17 August 2006
Audience:
Professional and scholarly
,
Undergraduate
Format: Paperback
Publisher's Status: Active
W.I.F. David, L.B. McCusker: Preface 1: W.I.F. David, K. Shankland, L.B. McCusker, C. Baerlocher: Introduction 2: A.K. Cheetham: Structure determination from powder diffraction data: an overview 3: D. Louer: Laboratory x-ray powder diffraction 4: P.W. Stephens, D.E. Cox, A.N. Fitch: Synchroton radiation powder diffraction 5: R.M. Ibberson, W.I.F. David: Neutron powder diffraction 6: R.J. Hill, I.C. Madsen: Sample preparation, instrument selection and data collection 7: P.-E. Werner: Autoindexing 8: W.I.F. David, D.S. Sivia: Extracting integrated intensities from powder diffraction patterns 9: T.Wessels, C. Baerlocher, L.B. McCusker, W.I.F. David: Experimental methods for estimating the relative intensities of overlapping reflections 10: R. Peschar, A. Etz, J. Jansen, H. Schenk: Direct methods in powder diffraction - basic concepts 11: C. Giacovazzo, A. Altomare, M.C. Burla, B. Carrozzini, G.L. Cascarone, A. Guagliardi, G.G. Moliterni, G. Polidori, R. Rizzi: Direct methods in powder diffraction - applications 12: M.A. Estermann, W.I.F. David: Patterson methods in powder diffraction: maximum entropy and symmetry minimum function techniques 13: J. Rius: Solution of patterson-type syntheses with the direct methods sum function 14: C.J. Gilmore, K. Shankland, W. Dong: A maximum entropy approach to structure solution 15: K. Shankland, W.I.F. David: Global optimisation strategies 16: P.G. Bruce, Y.G. Andreev: Solution of flexible molecular structures by simulated annealing 17: L.B. McCusker, C. Baerlocher: Chemical information and intuition in solving crystal structures Index
Reviews for Structure Determination from Powder Diffraction Data
`The book is an essential and complete text for newcomers to structure solution from powder data, and those who are familiar with the technique should find much of interest in its pages.' Journal of Applied Crystallography
