[Wien] problem WZ structure (p63mc)

U P Verma upv at airtelbroadband.in
Tue Aug 28 12:08:23 CEST 2007


would any body please suggest me exact position of AlN structure in WZ
phase (space group) as 186 p63mc

Presently I am using 
Al
0.333333 0.66666666 0.000000
0.666666  0.3333333 0.500000

N

0.33333  0.666666  0.384000
0.66666  0.333333  0.884800

Is it ok for WZ structure

I am confused as different litt. have Diff. position

In nrl website it is 
0.333333 0.66666666 0.000000
0.666666  0.3333333 0.500000

0.33333  0.666666  0.384000
0.66666  0.333333  -0.125200

And in Z Dridi paper it is 
0.000000 0.00000000 0.000000
0.666666  0.3333333 0.500000

0.33333  0.666666  0.384000
0.66666  0.333333  0.884800

When I used these position and save the structure it automatically
change Al position as:

0.000000 0.00000000 0.000000
0.000000  0.0000000 0.500000

Please help me 

With regards
P.S Bisht







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