[Ifeffit] GaN atoms imput page
Bruce Ravel
bravel at bnl.gov
Mon Nov 26 11:20:27 CST 2007
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
EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
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