Input: Phase conditions

Besides the structure data and typical characteristics of the equipment used, also phase-specific properties may be varied. PowderCell offers all important parameters which are useful for e.g. a successful description of the reflection profile and a regular intensity variation. Therefore the following parameters can be used:

integral intensity
- normalization of the line intensity
- consideration of mixtures (mass% or vol%)
profile
- convolution function
- FWHM variation
preferred orientation
used colors in the diagram

In the actual version an automatical fit procedure has been implemented which allows to describe an experimental diffractogram more easy. However, to this end a special refinement dialog box has been created which enables the definition of refinable parameters. After the refinement procedure the data may be accepted and take over in the screen described here.

Especially for teaching it is very useful to be able to stydy the influence of the variation of the individual parameters. So the user gets a feeling for the sensibility of refinement programs.

Federal Institute for Materials Research and Testing
Unter den Eichen 87, D-12205 Berlin,
Germany