crystal structure graphics??
- To: mathgroup at yoda.physics.unc.edu
- Subject: crystal structure graphics??
- From: <ELBERT at midd.bitnet>
- Date: Sun, 9 Feb 92 15:27 EDT
Although my own Mma usage does not include such things, I am curious to know if people are actually producing graphics of crystal structures with Mma? I thinking of things along the lines of the graphic of the YBa2Cu3O7 superconductor structure on page 23 of the second edition of THE BOOK. It seems it would be nice to have access to an archive of structures (as are available in "analog" form in the classic books by Bragg, Claringbull, and Taylor (the crystalline state, volume IV) or Wyckoff. In addition to "ball" models, it would be great to have "polyhedral" models of the type that portray a stucture as a complex of polyhedra generally formed by joining the anions (commonly oxygen) that occupy the corners of Pauling-type coordination groups (geez...that was an oddly long description, sorry!) Of course it might be nice to put together a package to allow interactive input of unit cell and formulae data for a structure to avoid the tedium of building the polygons for polyhedral models "by hand". Has anyone done that?? If anyone has heard of folks working on such things, please pass on my address. I can't imagine when I'll have time to get to it myself, and I haven't found a student interested in puttering around with it, but I would love to be the beneficiary of someone elses hard work. Thanks- David Elbert Dept. of Geology Middlebury College Middlebury, VT 05753 (802)388-3711 x5652 Elbert at midd.bitnet