[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
More information about the Wien
mailing list