National NWO-CW/UU Single Crystal Service Facility

Faculty of Science
Bijvoet Center for Biomolecular Research
Crystal and Structural Chemistry
Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands
Phone: (+31) 30 2532538, Fax: (+31) 30 2533940

Staff of the National Single Crystal Service Facility

Prof Dr A.L. Spek -- (photo)
Dr M. Lutz -- (photo-256kB)
Dr. L. von Chrzanowski



Former Co-Workers /Postdocs

Dr. B. Kojic-Prodic (Returned to Croatia)
Drs. A. Meetsma (Returned to University of Groningen)
Drs. W.J.J. Smeets (Out-of-Science)
Drs. N. Veldman (Deceased)
Dr. E. Horn (Currently Japan)
Dr. M. Lakin (Currently France)
Dr. S. Menzer (Moved to the U.K. / Stoe Company)
Dr D.D. Ellis (Returned to the U.K.)
Dr A.M. Mills -- (photo-256kB) (Currently Germany, Dresden)
Dr. D.M. Tooke -- (photo) (Currently U.K., Oxford)
Dr H. Kooijman -- (photo) (Currently Shell, Amsterdam, E-mail:



- KappaCCD on Rotating Anode (FR591/MoKa) + Oxford Cryostream LNT
- TurboCAD4 + LNT / CuKa


- 3GHz-XEON (LINUX) workstations
- SUN-Ultra/10 workstation (Thanks to SUN-Microsystems)

Anonymous FTP

Single Crystal Structure Determination Service

Academic Users

Crystal Structures are determined at a fee of 135 Euro (to be collected by NWO-CW) for academic users in the Netherlands.

Each submission should be accompanied by a form giving information about the crystals and the purpose of the crystal structure determination. These submission forms are available in English and Dutch. Click in the following list to download the form of your choice:
English PDF (Portable Document Format)
- English PS (Postscript format)
- Dutch PDF (Portable Document Format)
- Dutch PS (Postscript format)

Non-academic Users

Non-academic users are charged

Please contact Prof. Dr. A.L. Spek (phone: 030-2532538, fax: 030-2533940 or E-mail) for further information.


- Course 'Interpretation of Crystal Structure Determinations'. Information on this course is available here.

- A registration form for the 2006 course is available here (10-Nov. and 13-Nov.).

- A pdf version of the 2005 course notes (4.5 Mbyte) can be found here.

Distributed Software Developed or Implemented in the Context of this Facility.

PLATON A Multipurpose Crystallographics Tool, including:
PLUTON - Molecular Graphics (Ball & Sticks),
SQUEEZE - Handling the Contribution of Disordered Solvent,
ADDSYM - Search for Missed Symmetry,
ASYM - Data Averaging and Analysis.,
LEPAGE - Search for Higher Metrical Symmetry,
STRUCTURE TIDY - Parthe & Gelato Standard Form for Inorganic Structures,
VALIDATION - Structure Validation,
S - Automated Structure Determination Shell
may be obtained via anonymous ftp.

EUHEDRAL - Program for the Refinement of the Crystal Shape (M.Lutz)

3D Fourier and VOID display (D.M.Tooke)



Other Program manuals may be found here


Publications of the National NWO-CW/UU Facility

Single Crystal Structure Validation

Paper on PLATON Structure Validation (Thomson-ISI: Hot Paper in Chemistry)

Troublesome Crystal Structures

This Might Interest (Real) Crystallographers

TWINNING, All you always wanted to know about ...

Crystal Growing, A collection of Tips and Pointers.

DIRAX, When you have indexing problems ..

Linux and Crystallographic Computing
Linux Applications in Crystallography
The Linux Documentation Project Homepage THE alternative for ...

Interesting US-based Forum
Interesting UK-based Forum

The 10 Most-Cited Chemists

Many Crystallographers are Highly-Cited Chemists

PowerPoint Presentations

Aachen - Nov. 2006 ppt Crystal Structure Validation
Delft- Sep. 2006 ppt New Options in PLATON
Boston-Cambridge MIT Feb. 2006 ppt Crystal Structure Validation
Madison Sept. 2005 ppt PLATON Tutorial
Siena 2005 - Crystallographic Computing School ppt - Introductory Talk
Siena 2005 - Crystallographic Computing School ppt - Programming the Science of Crystallography
Siena 2005 - Crystallographic Computing School ppt - Structure Comparison, Analysis and Validation
Zaragoza 2005 ppt - Structure Validation: How to distinguish GOOD and reliable single crystal structures from BAD and UGLY reports
Zaragoza 2005 ppt PLATON Tutorial
ECM-22 Budapest 2004 ppt - The System-S Approach to Automated Structure Determination: Problems and Solutions.
Dick Marsh Symposium (ACA-Chicago-2004) ppt or pdf - Marshing, Past, Present and Future
Bruker-Nonius Meeting Madison-2003 ppt - PLATON-Tutorial
ECA-Durban-2003 ppt - SYSTEM-S, The Challenge of Automated Structure Determination
BCA-York-2003 ppt - Software Tools for the Analysis of Z' > 1 Structures
ACA-San Antonio-2002 ppt - The MISSYM Family: Software for the Detection of Missed or Pseudo Symmetry
IUCr-Geneva-2002 ppt - Automatic Detection of Poor or Incorrect Single Crystal Structures

Author Statistics in the CSD

Authors with 100+ Published Structures and Full Author List (CSD-Oct-1998)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-1999)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-2000)

Authors with 100+ Published Structures and Full Author List (CSD-Oct-2001)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2002)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2003)

Authors with 100+ Published Structures and Full Author List (CSD-Dec-2004)

Authors with 250+ Published Structures and Full Author List (CSD-Jan-2006)


PLATON/ADDSYM analysis of all 1970 Cc structures in the CSD (apr 1999).

Pointers to Selected World Wide Web Sites

IUCr-Computing Commission
International Union of Crystallography
I.C.S.D. WWW Site (CAOS/CAMM-Nijmegen-account required)
CAMM WWW Site (CAOS/CAMM-Nijmegen-account required)
European Crystallographic Association
American Crystallographic Association
British Crystallographic Association
ACA Small Molecule SIG
ACA Service Crystallography SIG
American Chemical Society
Nederlandse Vereniging voor Kristallografie
Cambridge Crystallographic Data Center
PLATON for MS-Windows - Home Page (Dr L.J. Farrugia, Glasgow)
SinCris Crystallographic Software Database
CCP14-Collaborative Computational Project
The SHELX Homepage
The DRAWxtl Homepage (drawing polyhedra)
Video taped lectures 'Physics for future Presidents' by R.A. Muller, Berkeley
UU-Library on-line journals (local)
WEBofScience (local)
IUCr-World Directory


Rigaku MSC

Oxford Diffraction



Oxford Cryosystems

On-Line IUCR-Journals

Acta Crystallographica Section A

Acta Crystallographica Section B

Acta Crystallographica Section C

Acta Crystallographica Section D

Acta Crystallographica Section E

Journal of Applied Crystallography

Journal of Synchrotron Radiation


Data for some Crystal Structures

Li2SiO3, Na2SiO3

Department of Crystal and Structural Chemistry
Last change 21-Dec-2006. e-mail to Ton Spek