On Monday 26 November 2007 11:32:43 codruta.zoican@yale.edu wrote:
Dear All, Does anyone have an atoms imput page for GaN. I was trying to construct one myself to run a fitting in Artemis but I'm having some difficulties.
GaN is the normal wurtzite structure. a = 3.180 c = 5.166 gamma = 120 core = ga rmax = 8 space = p 63 m c atoms Ga 0.33333 0.66667 0.0000 N 0.33333 0.66667 0.3750 HTH, B -- Bruce Ravel ----------------------------------- bravel@bnl.gov National Institute of Standards and Technology Synchrotron Measurements Group, Beamlines X23A2, X24A, U7A Building 535A, Room M7 Brookhaven National Laboratory Upton NY, 11973, USA My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/