Useful Sites for Materials
Information, Crystal Data Manipulation,
and Structure Presentation
Powder Cell program for structure viewing and diffraction simulation:
http://ccp14.sims.nrc.ca/ or http://www.ccp14.ac.uk/
The ccp14 site and its mirror sites have many programs to perform various types of diffraction data analysis. We are looking for a specific program called “Powder Cell”. Choose the “Download Programs” link at the top of the page. Scroll down to the “Powder Cell section and choose the UK site link for the web site (first section). Scroll down to the bottom of the introduction page and click on the “download Windows version 2.3”. The program is saved as one file (pcw23.exe, 1.4 MB) that is self-extracting. Save it to a new folder and unzip it in the same folder. You can run the program and save each of your data files in this single folder. If you have problems email me and I can email the setup program to you.
Note: the ccp14 web site also has a basic tutorial page that will help to get you started.
POV-Ray - a persistance of view ray tracing program
There is also a very useful program (POV-Ray) that can be used in conjunction with Powder Cell. A “flat” 2D structural drawing from Powder Cell can be exported in “Raytrace (POV)” format and can be read into POV-Ray, which will draw realistic 3-D looking structures. The link to this program:
http://www.povray.org/download/
It is an 8 MB download, but it is free. Scroll down the download page to find links to the program for various platforms.
Other Sites of Potential
Interest:
Mac version of an X-Ray
diffraction simulator at (I haven't tested this one):
http://neon.mems.cmu.edu/degraef/xray/
Naval Research Laboratory site with images and info on many solid state structures: http://cst-www.nrl.navy.mil/lattice/
Materials by Design (engineering
course web site at Cornell):
http://www.mse.cornell.edu/engri111/index.htm
Useful link to a mass spec, reaction yield, and isotope calculators at: