Table Of ContentProceedings of the XVIII Conference
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A P P L I ED
CRYSTALLOGRAPHY
Proceedings of trie XVIII Conference
A P P L I ED
CRYSTALLOGRAPHY
Wisla, Poland 4-7 September 2000
Editors
Henryk IVIorawiec & Danuta Stroz
University of Silesia
Katowice, Poland
V fe World Scientific
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British Library Cataloguing-in-Publication Data
A catalogue record for this book is available from the British Library.
APPLIED CRYSTALLOGRAPHY
Proceedings of the XVIII Conference
Copyright © 2001 by World Scientific Publishing Co. Pte. Ltd.
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ISBN 981-02-4613-7
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V
Foreword
This volume contains most of the papers presented at the XVIII
Conference on Applied Crystallography held in Wisla - Poland from 4 to 7
September 2000.
The particular objective of these conferences is to enable the
meeting of crystallographers, solid state physicists and also materials
scientists. The participants look further than the narrow perception of
crystallography associated merely with the determination of crystal
structure. The papers presented here report the most appreciable
achievements made in the development and propagation of methods of
structural investigation for application to materials used in industrial
practice. Studies to gain a deeper insight into the real structure of materials
have become a notable feature of these conferences.
This Proceedings reflect the programme of the XVIII Conference covering
the areas of:
- Determination of crystal structure from powder diffraction by Rietveld
method
- Development of methods and techniques in X-ray, electron and neutron
diffraction
- Crystallography of phase transformation, most of the presented papers
concerned the martensitic transformation in shape memory alloys
- Texture studies, defect structure and microstructure characterisation
- Material structure which comprise metals, ceramic and polymers,
amorphous, nanomaterials and thin films.
The conference was attended by many distinguished specialist who
presented their papers on plenary and oral sessions. A total of 38 papers
were presented on both kind of sessions and a further 54 at the poster
sessions. The 120 participants including 47 from abroad were coming from
17 countries.
The conference was accompanied by the Workshop on Rietveld Method.
This was the consequence of the three previous organised Summer Schools
on Rietveld method in X-ray diffraction. In the frame of the Workshop the
participants presented their papers during a poster session.
This workshop was organised under the patronage of the Commission on
Powder Diffraction of the International Union of Crystallography. The
International Union of Crystallography was also a sponsor of the
Workshop.
The organiser and director of the School was Prof. Ray Young from
Georgia University in Atlanta, and the lecturers were Prof. R. Von Dreele,
VI
Prof. P. Attfield and Prof. J. Rodriguez - Carvajal. The Rietveld Workshop
participants not only listened to the lectures but also had the practical
opportunity to improve their computation abilities.
I would like to point out here that it would not have been possible to
organise the conference without financial support of different institutions
and societies to whom I would like to express my thanks.
Special thanks are due to the International Union of Crystallography for
supporting the young scientist - participants of this conference as well as
to the Polish Ministry of Education.
Finally, I would also like to thank all the members of the Organising
Committee and the Advisory Board who where unsparing in their efforts
to prepare the XVIII Conference on Applied Crystallography.
Henryk Morawiec
vii
Advisory Board
A. Authier, France
R.J. Cernik, U.K.
J. Fiala, Czech Republic
P. Klimanek, Germany
D. Louer, France
K. Lukaszewicz, Poland
H. Morawiec, Poland
N. Nakanishi, Japan
K. Niihara, Japan
D. Smith, USA
R. Von Dreele, USA
R.A. Young, USA
R. Hill, Australia
Organising Committee
Honorary Chairman: Z. Bojarski, University of Silesia
Chairman: H. Morawiec, University of Silesia
Secretary: D. Stroz, University of Silesia
Members: T. Bold, Institute of Ferrous Metallurgy, Gliwice
J. Pielaszek, Institute of Physical Chemistry, PAS, Warszawa
E. Sobczak, Institute of Physics, PAS, Warszawa
J. Lelatko, University of Silesia
E. L^giewka, University of Silesia
B. Brzycka, University of Silesia
Conference sponsors:
Polish Ministry of Education
Polish Academy of Sciences
State Committee for Scientific Research
International Union of Crystallography
Institute of Non-Ferrous Metals
IX
CONTENTS
Determination of crystal structure from powder diffraction
by Rietveld method
The microstructure of nanocrystalline powders by combining fitting
techniques and diffraction-line-broadening analysis 3
D. Louer, N. Audebrand
Characterisation of subtle structural disortions in transition metal oxides
by high resolution powder diffraction 13
J.P. Attfield
X-ray studies of nanomaterials: theory and experiment 21
J. Pielaszek, Z. Kaszkur, B. Mierzwa
The bond valence method - applied to complex thioanions and
heterobimetallic complexes of copper with molybdenum and tungsten
via bridging sulfur ligands 27
H. Boiler
Magnetic structure determination from powder diffraction using the
program FullProf 30
J. Rodriguez-Carvajal
Structure of the 7?-phase in NiTi shape memory alloys 37
T. Goryczka, D. Stroz, H. Morawiec
Rietveld refinement studies of Te-doped CoSb 46
3
K. T. Wojciechowski, M. Bucko, A. Malecki, Z. Wegrzyn
Rietveld profile analysis on the Mn-substituted, ordered LiFe 0 50
5 8
P. Piszora, W. Nowicki, J. Darul, E. Wolska
Crystal structure of CuCr Se , Cuo.8Coo.2Cr Se and Cuo.4Coo.6Cr Se4 54
2 4 2 4 2
I. Okonska-Kozlowska, E. Maciqzek, A. Ratuszna
Rietveld quantitative analysis of Donieck anthracite with structure
refinement of organic component 58
H. Krzton
Development of methods and techniques in X-ray,
electron and neutron diffraction
Small-angle scattering and the decomposition of alloys 65
G. Kostorz
