July 21, 2019, 05:40:58 PM
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Topic: How to create a structure from CIF file?  (Read 9116 times)

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Offline AWK

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Re: How to create a structure from CIF file?
« Reply #15 on: November 25, 2013, 06:36:58 AM »
Your CIF shows evidently wrong oxygen position.
I put tentatively
0.2700 0.2700 0.2700 O
and get a correct spinel structure using mercury (without any cosmetic job)
AWK

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