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International Workgroup on
Mathematical and Theoretical
Crystallography
- The Hungarian National Committee of the
International Union of Crystallography
- The Organizing Committee of ECM-22
and Sponsored
by
Dates and venue
The satellite was held from 24 to 26 August, 2004, at the same
site of the ECM-22 congress, namely the ELTE Convention Centre (
Eötvös Loránd
University, Institute of Chemistry, address: H-1117,
Budapest, Pázmány Péter sétány
1).
The next meeting organized by the MaThCryst group will be a
Summer School in Nancy (France), from
20 to 24 June 2005. RGISTRATIONS OPEN!
Program
Tuesday, August 24
8:30-8:45: Welcome
address
8:45-12:30: Session 1. Geminography: the science of
twinning
Lecturers:
Hans Grimmer (Paul Scherrer Institute and
University of Zurich, Switzerland) and
Massimo Nespolo (LCM
3B,
Université Henri Poincaré Nancy 1, France)
- Reticular classification of twins and its extensions
- Methods of calculations of twin elements and derivation of
twin laws
- The Coincidence-Site Lattice theory: application to the
derivation of twin lattices and their classification in terms of
twin index and obliquity
- Translational and point symmetry of twins: twin point groups
and their chromatic features
- Effect of twinning on the diffraction pattern
12:30-14:30: Lunch time and poster
session
14h30-18:30: Session 2. OD
structures in crystallography
Lecturers: Slavomil Ďurovič (Slovak Academy of
Sciences, Bratislava, Slovakia) and Jiří Hybler
(Academy of Sciences of the Czech Republic, Praha)
- Fundamentals of OD theory - I. VC and OD structures, partial
symmetry, NFZ, OD and MDO philosophy
- Fundamentals of OD theory - II. Derivation of MDO structures,
idealized and real (desymmetrized) structure models
- Refinement of OD structures. Axial settings, starting
coordinates, scale factor(s), layout of the structure(s)
- OD interpretation of known structures, attributes of a
publication
18:30 onward: poster session
Wednesday, August 25
8:30-12:30: Session 3.
Normalizers of space groups: A useful tool in crystal-structure
description, comparison and determination
Lecturers:
Elke Koch and
Werner Fischer (Philipps-Universität Marburg,
Germany)
- The concept of normalizers
- The 'symmetry of symmetry'
- Definitions
- Normalizers of space groups
- Euclidean normalizers
- Affine normalizers
- Tables of the Euclidean and affine normalizers of space
groups
- Applications
- Equivalent point configurations
- Equivalent Wyckoff positions
- Equivalent coordinate descriptions of crystal structures
12:30-14:30: Lunch time and poster
session
14:30-18:30: Session 4.
Graph Theory in Crystallography
Lecturers: John Rutherford (National University of Science &
Technology, Bulawayo, Zimbabwe) and
Michael O'Keeffe (Arizona State University)
- Graph Theory: terminology and some relevant applications
- Recent advances in the enumeration of 3-periodic nets
- Bond valence fundamentals
- Graph-symmetry-adapted solutions to bond valence
networks
18:30 onward: poster session
Thursday, August 26
8:30-12:30: Session
5
Chirality and Achirality in Crystal
Structures
Lecturer:
Howard
D. Flack (Laboratoire de Cristallographie, University of
Geneva, Switzerland)
- Introduction
- Classification of oriented crystal structures
- Crystal-structure type NA (noncentrosymmetric achiral)
- Crystal-structure type NC (noncentrosymmetric chiral)
- Crystal-structure type CA (centrosymmetric achiral)
- Molecular crystal structures
- Nomenclature
- Chirality
- Racemic compounds and anomalous racemates
- Pseudoracemate
- Racemic twinning
- Fixing the enantiomorph
- Optical activity
- Chiral and achiral space groups
- Symmetry elements and their graphical representation
- Euclidean normalizers
- Illustrative examples
- anti-wurtzite - (misunderstanding crystal structure type
NA)
- methyprylon - (dimorphism in solid solutions)
- hexahelicene - (crystals twinned by inversion in a
racemate)
- as yet unknown - (achiral crystal structure of enantiopure
molecules)
- an ortho-chloropalladated
2-[tricarbonyl(η6-phenyl)chromium]pyridine complex
- (dimorphism in enantiopure crystals)
Organizing crystallographic groups in higher
dimensions
Lecturer:
Bernd Souvignier (Faculty of
Science, Mathematics and Computing Science University of
Nijmegen, The Netherlands)
Delone Systems as a Basis of the Discrete World
Geometry
Lecturer: Ravill Galiulin (Institute of Crystallography of
Russian Academy of Sciences, Moskow)
Combinatorial construction of tilings (crystal models) by
barycentric simplex orbits (Delone-Delaney-Dress symbols,
D-symbols in short) and their realizations in Euclidean and other
homogeneous spaces
Lecturer: Emil Molnár (Institute of Mathematics, Budapest
University of Technology and Economics, Hungary)
Optimal Ball Packings for Crystallographic Orbits and Their
Visualisations by Computer
Lecturers: István PROK and Jenö SZIRMAI (Institute of
Mathematics, Budapest University of Technology and Economics,
Hungary)
12:30-14:00: Lunch time and poster
session
14:00-17:50: Session 6 (in
cooperation with the
IUCr-CIMS)
Symmetry aspects of the modulated structures
Lecturer:
Wulf Depmeier (Kiel University,
Germany)
Special aspects of the symmetry of
quasicrystals
Lecturer:
Walter Steurer (ETH Zürich, Switzerland)
Coffee/tea break and poster discussion during the interval of
each session
Abstracts and Proceedings
Electronic version of the abstracts of the posters presented
to the Satellite Conference are available for download in
PDF format (1870
Kb).
The Proceedings of the Satellite Conference have been published
as a Zeitschrift für Kristallographie. Proceedings
Editor was Prof. Hans Grimmer.
Final list of registered participants
Alphabetical
| 1 |
ÁCS, László |
Hungary |
| 2 |
AROYO, Mois |
Spain |
| 3 |
BALKOVA, Lubomira |
Czech Republic |
| 4 |
BÖLCSKEI, Attila |
Hungary |
| 5 |
BOTOSHANSKY, Mark |
Israel |
| 6 |
CAPILLAS, Cesar |
Spain |
| 7 |
CERNY, Radovan |
Switzerland |
| 8 |
COLE, Jacqueline |
United Kingdom |
| 9 |
DEPMEIER, Wulf |
Germany |
| 10 |
ĎUROVIČ, Slavomil |
Slovakia |
| 11 |
EFFENBERGER, Herta |
Austria |
| 12 |
EON, Jean-Guillaume |
Brazil |
| 13 |
FERRARIS, Giovanni |
Italy |
| 14 |
FISCHER, Werner |
Germany |
| 15 |
FLACK, Howard |
Switzerland |
| 16 |
FILINCHUK, Yaroslav |
Switzerland |
| 17 |
GALIULIN, Ravill |
Russia |
| 18 |
GRIMMER, Hans |
Switzerland |
| 19 |
HLINKA, Jaroslav |
Czech Republic |
| 20 |
HORVÁTH, Eszter |
Hungary |
| 21 |
HYBLER, Jiří |
Czech Republic |
| 22 |
IZAOLA, Zunbeltz |
Spain |
| 23 |
JANNER, Aloysio |
The Netherlands |
| 24 |
KIA, Reza |
Iran |
| 25 |
KOCH, Elke |
Germany |
| 26 |
KOPSKÝ, Vojtech |
Czech Republic |
| 27 |
LITVIN, Daniel |
USA |
| 28 |
MARKIEWICZ, Michal |
Poland |
| 29 |
MOLNÁR, Emil |
Hungary |
| 30 |
NENERT, Gwilherm |
The Netherlands |
| 31 |
NESPOLO, Massimo |
France |
| 32 |
O'KEEFFE, Michael |
USA |
| 33 |
ORLOV, Ivan |
Switzerland |
| 34 |
PANTOS, Stefan |
United Kingdom |
| 35 |
PEREZ-MATO, J. Manuel |
Spain |
| 36 |
PROK, István |
Hungary |
| 37 |
PYZALLA, Anke Rita |
Austria |
| 38 |
RODRIGUEZ, Soraya |
Switzerland |
| 39 |
RUTHERFORD, John |
Zimbabwe |
| 40 |
SCH?NLEBER, Andreas |
Spain |
| 41 |
SMIRNOVA, Nina L. |
Russia |
| 42 |
SOUVIGNER, Bernd |
The Netherlands |
| 43 |
STEURER, Walter |
Switzerland |
| 43 |
SZIRMAI, Jenö |
Hungary |
| 45 |
TESAROWITZ, Iwona |
Poland |
| 46 |
TOCHOWICZ, Anna |
Germany |
| 47 |
VISNJEVAC, Aleksandar |
Croatia |
| 48 |
WOJTAS, Lukasz |
Poland |
| 49 |
ZHANG, Hui |
Germany |
| 50 |
ZHANG, Ling Fei |
United Kingdom |
| 51 |
ZOU, Xiaodong |
Sweden |
By country
| Switzerland |
7 |
| Hungary |
6 |
| Germany |
5 |
| Spain |
5 |
| Czech Republic |
4 |
| Poland |
3 |
| The Netherlands |
3 |
| UK |
3 |
| Austria |
2 |
| Russia |
2 |
| USA |
2 |
| Brazil |
1 |
| Croatia |
1 |
| France |
1 |
| Iran |
1 |
| Israel |
1 |
| Italy |
1 |
| Slovakia |
1 |
| Sweden |
1 |
| Zimbabwe |
1 |
Group photo
More photos available at the
ECM-22 web site.
The
Organizing Committee of the ECM-22 Satellite Meeting on
'Crystallography at the start of the 21st century:
Mathematical and Symmetry Aspects' observed the basic policy of
non-discrimination and affirms the right and freedom of
scientists to associate in international scientific activity
without regard to such factors as citizenship, religion, creed,
political stance, ethnic origin, race, colour, language, age or
sex, in accordance with the Statutes of the International Council
for Science. At this satellite no barriers existed which would
have prevented the participation of bona fide
scientists.
