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This piece of software is to predict bond distances in crystals. It helps to verify structure solutions, but also in more challenging tasks such as locating lattice-induced strains (cf. 'Method in detail' below). To begin you will pick up atoms forming your structure from Table of Elements and define number of bonds between them. The program uses Bond Valence Method (BVM, also known as I.D.Brown method) based on empirical [bond valence]-[bond length] relations
and modified second Pauling rule, demanding a local balance of valences.

More about underlying principles:

I.D.Brown, Acta Cryst. B33 (1977) 1305-1310 (PDF, 0.6 Mb)

See also topic Method in Detail

Operating system requirements
Microsoft Windows ® 3.11 and later.

Download (free of charge)

All-in-one archive (zip, 428 Kb)

or separately:

Main binary file (zipped EXE, 211 Kb)
Ro checked database (txt, 58 Kb)
Ro unchecked database (txt, 72 Kb)
User's Guide (zipped PDF, 200 Kb)

Structure examples:
1.Diopside from I.D Brown article [1] (zipped STR, 1 Kb)
2.Danburite from [2] (zipped STR, 1 Kb)

How to Start
Just save all the files anywhere you want them to dwell, run bondval.exe and enjoy !

To get familiar with Bond Valence Wizard, you might wish to read

Hypertext On-line User's Guide or

Download User's Guide as PDF file (230 Kb)


Although Wizard has been tested by the authors on a number different systems and computers no warranty is made as to the functioning and accuracy of the programs and their descriptions. However the authors will greatly appreciate being informed of discrepancies in the programs or desirable options not currently included..

You've got the message ;-)) - if your Wizard has a bug - simply let us know !

Click for run presentationThis is Flash presentation about Bond Valence Model in general. Click on the image to run the show in new browser window. or download this Flash roll to your local computer as:

- zipped SWF file (for Mac & PC, 933 Kb) or
- zipped EXE file (for PC only, 1126 Kb).

If the files have not been downloaded properly, click RIGHT mouse on desired link and select "Save Target As.." in pop-down menu.

To play the presentation locally after downloading drag the file into your browser window (if SWF) or click twice on the file to run (if EXE). Click the first screen and use ENTER to go through.

See also:
[1]Underlying Principles in I.D.Brown, Acta Cryst. B33 (1977) 1305-1310 (PDF, 0.6 Mb)

[2] Method In-depth and Applications in V.Urusov and I.Orlov, Cryst.Reports 44, (1999) 4, 686-709 (PDF, 2.67 Mb)

[3] Software Description in I.Orlov etc., Journal of Structural Chemistry 39 (1998), 4, 575-579 ( PDF, 1.2 Mb)

- Dr. Stefan Adams Page about BVM
- Software for BV Calculations on CCP14

Your questions and comments would be very appreciated!
Responsible Person:
Ivan P. Orlov
Laboratoire de Cristallographie (LCr1)
EPFL, Lausanne, BSP - Dorigny,
CH-1015 Lausanne, Switzerland

Phone: +41 21 711 34 20
Hosting is supported by Scientific Visual Ltd.

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