Activities in 1994
Nine one-day seminars and conferences for
crystallographers were organized in 1994.
Three proceedings and Bulletin of the Czech and Slovak
Crystallographic Association were issued.
CSCA obtained financial support from grant agencies
and scientific organizations in Czech Republic.
In present time, the association participates in the following
activities and projects:
- International conference "Size - Strain 1995"
- One-day seminars
- International schools (joined with IUCr)
- Edition and distribution of the journal "Materials Structure in
Chemistry, Biology, Physics and Technology"
- Distribution of the journal "Newsletter of IUCr"
- Use of structure databases CSD a ICSD
- Preparation of polymer structure database
- Round Robin tests for powder diffractometry
- CSCA Library
- CSCA Press Center
"Regional center joined to CCDC" coordinates the activities of the "Centers
of structural crystallography and molecular modelling" in
the Institute of Physics and Institute of Macromolecular
Chemistry, Academy of Sciences of Czech Republic, in Prague, and Technical
University in Bratislava.
The association provides the members submitting projects in the
field of crystallography and related branches with
financial and professional assistance.
Single crystals preparation and application
Preciosa, Turnov , January 20, 1994
Lectures : History of Preciosa (J. Sulovsky)
- Preparation and application of high-melt single crystals. (J. Kvapil)
- Fluoride single crystal preparation. (J. Jindra)
- Excursion to Preciosa
Organization : J. Sulovsky, J. Giba, J. Hybler
Identifications of unknown compounds by X-ray powder
diffraction method} (one-day course)
Faculty of Mathematics and Physics, Charles University, Praha,
March 18, 1994
Lectures :
- Unknown compound identification, JCPDS data cards, fundamentals
of search-match procedure (D. Rafaja)
- Complex analysis method for the new phases found in the nature
(P. Ondrus)
- Information on the structure inorganic data base
(J. Fabry)
- How to work with data base PDF-2 on CD-ROM ?
(R. Kuzel)
- Workshop
Organization : R. Kuzel, V. Valvoda, D. Rafaja, L. Dobiasova
STOE presentation
Institute of Physics, Slovak Academy of Sciences, Bratislava,
May 10-11, 1994
Lectures:
- Stoe automatic X-ray powder diffractometer
systems and new development in the field of single crystal
structure analysis (M. Ermrich)
- High-resolution diffraction - a tool for random defect
distribution characterization in layered structures
(V. Holy)
- X-ray topography and goniometry of semiconductor substrates and structures
(D. Korytar)
- Lattice parameters of some ceramic materials
(M. Haviar, E. Morhacova)
- The structure of certain Cu(II) complexes at 100K
(J. Kozisek)
- The polycrystalline materials studied by STADI
transmission diffractometer in the Institute of Inorganic
Chemistry of the Slovak Academy of Sciences
(L. Smrcok)
- Layered structure determination with the
high-resolution STOE diffractometer (Institute of Inorganic
Chemistry of the Slovak Academy of Sciences)
- Excursion
Organization : M. Jergel, E. Majkova, L. Smrcok
XFPS workshop
Department of Inorganic Chemistry, Faculty of Natural Sciences, Komenskeho
University, Bratislava, May 18, 1994
Lectures :
- Automatic determination and refinement of crystal structures with heavy
atoms (F. Pavelcik)
- XFPS, XFPA programs (F. Pavelcik)
- XSPGR program (Kuchta)
- XFPS program show (Tyrselova, Kuchta, Sivy)
- XFPA program show (Pavelcik)
- Workshop
Organization : F. Pavelcik
Inorganic materials
Institute of Inorganic Chemistry, Slovak Academy of Sciences
Bratislava, November 8, 1994
Lectures :
- Lattice parameters of SiAlON (M. Haviar)
- Amorphous SiC crystallization and sintering (Z. Lences)
- Stabilization of Si3N4 grains by addition of MgO
(L. Benco)
- Phases stability in Si-C-N-O system (Z. Pajanek)
- Si3N4 ceramics with the layered micro-structure
(P. Sajgalik)
Organization : P. Sajgalik, M. Dunaj-Jurco
Powder diffraction, structure databases
Institute of Macromolecular Chemistry, Czech Academy of Sciences,
Praha, November 10, 1994
Lectures :
- New software product of ICDD (R. Jenkins; ICDD)
- Structure solution from powder diffraction data (W. Lasocha;
Krakow, Poland)
- Crystallographic databases (J. Hasek)
- CSD program (J. Sopkova)
Organization : J. Hasek, R. Kuzel
X-ray structure analysis for chemical problems
Department of Inorganic Chemistry, Faculty of Chemistry, Slovak
Technical University Bratislava, December 6, 1994
Lectures :
- Structural anomalies of Cu(I)-Cu(II)
complexes (J. Garaj)
- Integral and fragmentary stereo-specific influence in Cu(II) and
Rh(II) coordinate compounds (M. Dunaj-Jurco)
- Chelate compounds structure analysis (F. Pavelcik)
- Catalytic dehydrogene reactions in Ni(II)complex compounds with nitric saturated heterocyclic ligands
(M. Koman)
- Semi-coordination in Cu(II) crystal structure complexes with
potential two functional ligands of acetate type
(F. Valach)
- 3T cronstedtite crystal structure (L. Smrcok, S. Durovic, V. Petricek, Z. Weiss)
- The bond properties of non-linear pseudohalogenides in
transitional metal complexes (J. Kozisek)
- The coordination polyhedra types of organo-tin complexes
(V. Vrabel, E. Kello)
Organization : D. Miklos, M. Dunaj-Jurco
College of Mining, Ostrava, June 6-10, 1994
The meeting was devoted to the experimental and instrumental
problems. Lectures were largely overviews of methods and problems
and full contributions were published in ``Experimentalni
techniky v rentgenove a neutronove strukturni analyze'' (in Czech, CSCA, Praha, ed. R. Kuzel, ISBN 80-901748-0-9).
Invited contributions :
X-ray sources (Bradler, Kub)
monochromators (Hrdy), films and
detectors (Ganev, Ermrich), single crystal film (Durovic, Hybler)
and diffractometer (Maixner) methods, neutron diffraction
(Kulda), small angle scattering (Plestil), powder diffraction
(Rieder, Kuzel, Rafaja, Weiss, Valvoda),
structure analysis of amorphous materials (Jergel),
stress measurement
(Kraus, Ganev), multiple-crystal diffractometry (Sourek, Kub),
diffuse scattering (Holy), surface sensitive X-ray methods
(Kovalchuk), X-ray topography (Polcarova), texture
analysis (Zeman, Cepera, Vratislav), high pressure diffraction
(Steinhart), low temperature diffraction (Zak, Lis), high
temperature diffraction (Buchal)
Organization : Z. Weiss
Programme : R. Kuzel
Summer school
Military Academy, Liptovsky Mikulas, July 17.-22. 1994
Summer school for young scientists. Extended articles were
published in the book : ``Difrakcia na polykrystalickych latkach
'' (R D Print, Bratislava, ed. L. Smrcok, ISBN
80-85488-01-9)
Chapters :
Basic concepts of structural crystallography (Durovic), Symmetry
and properties of crystals (Fejdi), Physical basis of
diffraction (Cerven), Diffraction on crystals (Durovic),
Experimental facilities - principles (Rieder), Experimental
facilities - detectors (Ganev), Precise determination of
diffraction peak positions and intensities (Rafaja), Texture in
polycrystalline materials (Capkova), Powder pattern indexing
(Louer), Qualitative and quantitative phase analysis (Fiala),
Structure refinement (Smrcok), Diffraction analysis of residual
stresses (Ganev, Kraus), Diffraction line broadening analysis
(Buchal), XRD analysis of polycrystalline thin films (Kuzel),
Radial distribution function of non-crystalline materials
(Jergel), Use of synchrotron radiation for structure analysis
(Jergel), Appendix - Mathematics (Cerven), XRD pattern modelling
(Weiss)
Organization : L. Smrcok, P. Sutta
Programme : L. Smrcok
Military Academy, Liptovsky Mikulas, October 3.-6.1994
Conference with international participation.
Organization : P. Sutta
Faculty of Mathematics and Physics, Charles University, Praha
October 25. 1994
Short course.
- Principles and possibilities of Rietveld method
(L. Smrcok)
- Use of program DBW3.2S - PC - 9005, Demonstration and
solution of practical problems
Organization : D. Rafaja, V. Valvoda
CSCA Journal
The title ``CSCA Bulletin'' was changed into ``Materials Structure in
Chemistry, Biology, Physics and Technology'', ISSN 1210--8529.
Articles are reviewed
and only English version is accepted. Other
contributions can be published in Czech, Slovak or English.
Editorial board has the right to refuse the
contribution which does not follow the editorial trends.
Other Journals and Proceedings
``IUCr Newsletter'' is quarterly send to all CSCA members on the
basis of agreement with IUCr.
IUCr Newsletter is the information source of all IUCr
scientific activities.
Proceedings of conference in Ostrava and three Round Robin reports were published
in 1994.
CSCA Library
has all Journals of the
International Union of Crystallography:
- Acta Crystalographica: Foundations of Crystallography (A),
Structural Science (B), Crystal Structure Communications (C), Biological
Crystallography (D) a Synchrotron Radiation.
The library also keeps conference journals and CSCA
documents.
provides activities concerning the
molecular and computational modelling programs.
Databases installed
The latest versions of crystallographic databases are installed
in:
- Institute of Physics (CSD, ICSD) - J. Fabry
- Institute of Macromolecular Chemistry (CSD, PDB, NDB, Polybase,
protein software) J. Hasek
- Faculty of Mathematics and Physics (PDF-2) R. Kuzel
- Slovak Technical University Bratislava (CSD) M.
Dunaj-Jurco
Licences are different for different products.
The corresponding database administrators should be asked for details.
- Solid state physics and chemistry group, Bratislava
- Regional Committee of IUCr
- Society for Crystal Growth,
- Society for research and use of clay minerals,
- Synchrotron radiation group of the Union of the Czech and
Slovak Mathematicians and Physicists,
- Thin film group of the Union of the Czech and
Slovak Mathematicians and Physicists,
Membership in commissions of IUCr
- J.Fiala .................... Comm.on Powder Diffraction
- J.Hasek ................... Comm.on Cryst.Computing
- J.Hrdy ...................... Comm.on Synchrotron Radiation
- V.Kopsky .................. Comm.on Cryst.Nomenclature
- J.Kulda ..................... Comm.on Neutron Scattering
- J.Sevcik ................... Comm.on Biological Macromolecules
- J.Fiala -- member of JCPDS -- International Centre for Diffraction Data.
- K.Huml -- past-chairman of European Crystallographic Committee (ECC).
- Prof. Michal Dunaj-Jurco
Department of Inorganic Cemistry,
Slovak Technical University,
Bratislava
- Dr. Jaroslav Fiala
Central Research Institute SKODA,
Plzen
- Dr. Vaclav Holy
Department of Solid State Physics,
Faculty of Natural Sciences,
Masaryk University,
Brno
- Prof. Dasa Hrivnakova
Department of machine metallurgy,
Fac. of Materials Technology,
Slovak Technical University,
Bratislava
- Doc.Ing. Marian Koman
Department of Inorganic Chemistry,
Slovak Technical University,
Bratislava
- Dr. Peter Mrafko
Institute of Physics,
Slovak Academy of Sciences,
Bratislava
- Prof. Vaclav Valvoda
Faculty of Mathematics and Physics,
Charles University,
Praha
- Dr. Zdirad Zak
Department of Inorganic Chemistry,
Faculty of Natural Sciences,
Masaryk University,
Brno