[Pw_forum] how to consider disordered crystal structure

Neha Bothra neha3bothra at gmail.com
Wed Sep 28 07:05:14 CEST 2016


Dear All,
            I am trying to make a structure of *CeAgGa3 compound* from the
following cif file in which *two different atoms have same configurations*.
But I don't know how to do it? Can any one help?

The coordinations are as follows:
 Ce                 0.00000000    0.00000000    0.00000000
 Ga                 0.00000000    2.16475000    2.70417500
 Ag                 0.00000000    2.16475000    2.70417500
 Ga                 0.00000000    0.00000000    4.17200119

Thank you in advance for any helps regarding my request.

Best regards,
Neha Bothra,
Ph.D student,
JNCASR,
Bengaluru, India.
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