[Ifeffit] GaN atoms imput page

[Bruce Ravel]

On Monday 26 November 2007 11:32:43 codruta.zoican at 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 at 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
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