How to Determine the Basis Atom Positions in Bi2Sr2Ca2Cu3O10 for XRD Simulation?

[ralden]

Hi everyone, I'm trying to simulated the XRD pattern of Bi2Sr2Ca2Cu3O10, but I'm having a problem of finding the basis of atom(and their respective position). Also its JCPDS is quite hard to find, so if anyone working with this, may you provide a link or articles about my problem.

Thanks.

(PS: don't forget the JCPDS.)

 

[M Quack]

http://link.springer.com/article/10.1134/S1063774509040075 (I don't have full text access at the moment)

Usually crystal structures are given in Wyckoff positions, i.e. xyz are given only if they are not completely defined by symmetry, and for one of the equivalent positions only.

http://www.cryst.ehu.es/cryst/get_wp.html

 

[ralden]

@M quak, if you know the the basis atom and their position may you listed here? thanks.

 

[diaalashine]

PLEAS I HOPE TO LEARN MY DREAM LEARN HOW MADE SUBSTANC ??

 

[my2cts]

It took me less than 5 minutes searching for "Bi2Sr2Ca2Cu3O10 crystal structure"
http://arxiv.org/pdf/1307.4491.pdf
If you can simulate an XRD why can't you google ?

 

[ralden]

Thank you sir for your effort to resolve my problem, but i already saw that article, and i think it is an incomplete data, because it only includes z coordinates, also there is no XRD or JCPDS provided. but anyway thanks again for your concern (on your 5 minutes concern).

 

[TeethWhitener]

i think it is an incomplete data, because it only includes z coordinates

The x and y information is encoded in the symmetry of the crystal (space group I4/mmm) and the lattice constants (a and c).