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what is unit cell parameter for wurtzite ZnO
Posted: Thu Oct 25, 2012 1:09 am
by cengiz
hello
what is unit cell parameters for wurtzite ZnO ?
rprim,xred or xcart , acell
Re: what is unit cell parameter for wurtzite ZnO
Posted: Fri Oct 26, 2012 2:43 pm
by Alain_Jacques
Re: what is unit cell parameter for wurtzite ZnO
Posted: Fri Oct 26, 2012 11:42 pm
by cengiz
Alain thank you for help
i will use it but i don't understand coordinate of basis atom
Zn 1/3 2/3 0
O 1/3 2/3 3/8
it is ok but why like this .
Zn is in originate and it's coordinate must be 0 0 0 and
Oxygen' coordinate 0 0 3/8 ( because its above Zn )