MaThCryst

IUCr


CIMS

ECA

ECA-SIG5

AFC

CNRS

LCM3B

UHP

CUGN

Bruker-AXS


International School on
Mathematical and Theoretical Crystallography

20-24 June 2005 - Université Henri Poincaré Nancy I - France

The school was organized by the
Commission on Mathematical and Theoretical Crystallography

under the auspices of the
International Union of Crystallography

and of the
European Crystallographic Association

supported by
the Commission on Inorganic and Mineral Structures
of the International Union of Crystallography

the Special Interest Group No. 5 "Mineral and Inorganic Crystallography"
of the European Crystallographic Association

the Association Française de Cristallographie

the French National Committee of the International Union of Crystallography

the Laboratoire de Cristallographie et de Modélisation des Matériaux Minéraux et Biologiques

the Université Henri Poincaré Nancy 1

the Centre National de la Recherche Scientifique

and the Communauté Urbaine du Grand Nancy

and sponsored by
Bruker-AXS





Dates and venue

The International School on Mathematical and Theoretical Crystallography was held on June, 20-24, 2005, at the Faculty of Sciences of the Université Henri Poincaré Nancy 1 (Amphitheatre No. 8).

The school was attended by 61 registered participants from 20 countries of 4 continents

List of participants (in alphabetical order).

NameCountryemail
Nicola ArgiolasItaly
Mois I. AroyoSpain
Emmanuel AubertFrance
Marco BazzanItaly
Abderrahim BenabbasAlgeria
Michele CattiItaly
El-Eulmi BendeifFrance
Elena BorissenkoFrance
Cesar CapillasSpain
Razvan CaracasU.S.A.
Nicolas ClaiserFrance
Angiolina ComottiItaly
Julia Contreras-GarcíaSpain
Eduardo Cuervo-ReyesSwitzerland
Raghunath DineshIndia
Tatiana DrebushchakRussia
Howard FlackSwitzerland
Laurca García-CanalesSpain
Pilar García-OrduñaFrance
Tatiana GorelikGermany
Hans GrimmerSwitzerland
Barbara GrossSwitzerland
Abderrahmen GuesmiTunisia
Joke HadermannBelgium
Theo HahnGermany
Ivan HalaszCroatia
Bern HinrichsenGermany
Oleg KovalevGermany
Svetlana IvashevskayaRussia
Vojtech KopskýCzech Republic
Claude LecomteFrance
Daniel B. LitvinU.S.A.
Louisa MeshiIsrael
Jose Montejo-BernardoSpain
Evelyn Moreno-CalvoSpain
Ulrich MüllerGermany
Hervé MuguerraFrance
Gwilherm NenertThe Netherlands
Massimo NespoloFrance
Hanne NussGermany
Artem R. OganovSwitzerland
Alexander OkrutGermany
Fabien PascaleFrance
Sébastein PilletFrance
Florence PorcherFrance
Yurii ProtsGermany
Laura RocesSpain
John RutherfordU.K.
Florian SebertU.S.A.
Daniela SeifertGermany
Wojciech ŚmigajPoland
Marco SommarivaItaly
Il-Hwan SuhSouth Korea
Laura Torre-FernándezSpain
Adem UmutThe Netherlands
Hussain Shah WiqarPakistan
Hans WondratschekGermany
Takamitsu YamanakaJapan
Lingfei ZhangU.K.
Yi Ming ZouU.S.A.
Anke ZürnSwitzerland


Committees

Local Organizing Committee (LCM3B - Nancy) Program Committee
Prof. Massimo Nespolo (Chair) Prof. Massimo Nespolo, LCM3B - Nancy
Prof. Claude Lecomte Prof. Theo Hahn, RWTH Aachen
Dr. Fabien Pascale (Informatics and technical support) Dr. Howard Flack, University of Geneva
Ms. Anne Clausse (Secretary)  

Program

The purpose of the school was giving a solid introduction to different aspects of crystallography and crystal physics and is addressed to graduate students and young scientists, as well as to all those who wish to deepen their formation in the topics treated here. Each session consisted of a 1-hour lecture and 45 minutes exercises / examples.



20 June: Space groups and their group-subgroup relations I

Theo Hahn, Aachen

8:30-9:30 Introduction to space groups
9:30-10:15 Exercises
10:15-10:45 Coffee break and poster session


10:45-11:45 Subgroups of space groups and their structural consequences
11:45-12:30 Exercises
12:30-14:30 Lunch and poster session


Hans Wondratschek, Karlsruhe

14:30-15:30 Supergroups of space groups
15:30-16:15 Exercises
16:15-16:45 Coffee break and poster session


Ulrich Müller, Marburg

16:45-17:45 Setting up trees of group-subgroup relations (Bärnighausen trees)
17:45-18:30 Exercises


21 June: Space groups and their group-subgroup relations II

Ulrich Müller, Marburg

8:30-9:30 How many independent crystal-structure types are possible for different space groups appearing in a Bärnighausen tree?
9:30-10:15 Exercises
10:15-10:45 Coffee break and poster session

Text and exercises about the Bärnighausen trees (PDF file, 746 Kb).



Hans Wondratschek, Karlsruhe

10:45-11:45 The concept of Hermann-Mauguin symbols
11:45-12:30 Exercises
12:30-14:30 Lunch and poster session


14:30-15:30 Hermann-Mauguin symbols: space-group derivation
15:30-16:15 Exercises
16:15-16:45 Coffee break and poster session

Exercises on Hermann-Mauguin symbols (PDF file, 28 Kb)
Solutions of the exercises (PDF file, 56 Kb)



Vojtech Kopský, Prague

16:45-17:45 Unified system of Hermann-Mauguin symbols
17:45-18:30 Exercises

Text of the lecture on "Unified system of Hermann-Mauguin symbols" (PDF file, 364 Kb)



« Discussion & Wine »

18:30-19:00 Cocktail and light foods
19:00-20:00 Discussion panel


22 June Symmetry aspects of structural phase transitions I

Michele Catti, Milan

8:30-9:30 Transition states and symmetry in phase transitions I
9:30-10:15 Exercises and examples
10:15-10:45 Coffee break and poster session
10:45-11:45 Transition states and symmetry in phase transitions II
11:45-12:30 Exercises and examples
12:30-14:30 Lunch and poster session

Text of the lecture on "Symmetry aspects of structural phase transitions " (PDF file, 1330 Kb)



Mois I. Aroyo, Bilbao

14:30-15:30 Symmetry mode analysis of displacive phase transitions
15:30-16:15 Exercises and examples
16:15-16:45 Coffee break and poster session
16:45-17:45 The Bilbao crystallographic server: useful databases and crystallographic computing programs
17:45-18:30 Exercises and examples

Exercises on Symmetry mode analysis of displacive phase transitions (PDF file, 232 Kb)
Solutions of the exercises (PDF file, 637 Kb)
Exercises on the use of the Bilbao crystallographic server (PDF file, 80 Kb) (these exercises have to be practiced directly on the Bilbao Crystallographic Server.



23 June,morning: Symmetry aspects of structural phase transitions II

Mois I. Aroyo, Bilbao
8:30-9:30 The Bilbao crystallographic server: useful computer tools in phase-transition problems
9:30-10:15 Exercises and examples
10:15-10:45 Coffee break and poster session

Exercises on the use of the Bilbao crystallographic server in phase-transition problems (PDF file, 189 Kb)
Solutions of the exercises (PDF file, 494 Kb)



Artem R. Oganov, Zürich

10:45-11:45 Isosymmetric phase transitions
11:45-12:30 Examples and exercises
12:30-14:30 Lunch and poster session


23 June, afternoon: Tensorial and physical properties of crystals

Michele Catti, Milan

14:30-15:30 Fundamentals of tensorial properties of crystals
15:30-16:15 Exercises and examples
16:15-16:45 Coffee break and poster session

Text of the lecture on "Tensorial and physical properties of crystals" (PDF file, 1101 Kb)



Takamitsu Yamanaka, Osaka

16:45-17:45 Effect of physical parameters on the structure of crystalline solids
17:45-18:30 Exercises and examples


24 June, morning: Chirality and achirality in crystallography

Howard Flack, Geneva

8:30-9:30 Part 1
9:30-10:15 Exercises and examples
10:15-10:45 Coffee break and poster session
10:45-11:45 Part 2
11:45-12:30 Exercises and examples

Didactic page about "Chirality and achirality in crystallography".


24 June, afternoon: Application of modern tensor calculus to engineered domain structures

Vojtech Kopský, Prague

14:30-15:30 Part 1
15:30-16:15 Exercises and examples
16:15-16:45 Coffee break and poster session
16:45-17:45 Part 2
17:45-18:30 Exercises and examples



Location

Nancy is located in the North-East part of France, 300 Km. East of Paris (motorway; 370 km. by train), 150 Km. West of Strasbourg. Trains from Paris to Strasbourg and vice versa, as well as several daily international trains running from France to Germany, Luxemburg and Belgium stop at Nancy (see the SNCF web site). The nearest airports are Metz Nancy Lorraine (domestic flights), Strasbourg International, Luxembourg International and Paris Charles de Gaulles & Orly.

The web site of the tourist office offers several useful information.

2005 is the 250th anniversary of the Stanislas Square, the main square in Nancy. Several events and attractions are schedule in this year. Up to date information are available at this website

.

Language

The official language of the School is English. No simultaneous interpretation was provided.


Financial Support

Thanks to the financial support we got from IUCr, ECA, Université Henri Poincaré, CNRS, Commaunté Urbaine Grand Nancy, and Bruker-AXS we have supported 22 students and young scientists from 13 countries, for a total of 8000 € in grants.

Special grants for French young scientists were provided by the Association Française de Cristallographie.


Abstracts and Posters

The collected abstracts of the posters presented during the school are available for download in PDF format (file size: 3663 Kb).


Contact

Inquiries can be sent to the (No HTML mail - only plain text please!).


The Organizers of the Nancy 2005 International School on Mathematical and Theoretical Crystallography shall observe 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 school no barriers will exist which would prevent the participation of bona fide scientists.