How to create a crystal lattice and get a CIF file based on atomic coordinates, lattice constants and symmetry groups?

25 June 2022 1 6K Report

Please help me create CIF file for Cu2NiSnS4 a grid based on this data:

Space group: F43m

Cation positions: 4a (0, 0, 0)

: 0.5Cu + 0.25Ni + 0.25Sn

Anion position: S at (1/4, 1/4, 1/4)

I can't deal with fractional coordinates. Please help me get the CIF for this file or give me some advice so I can create the structure.

Thanks in advance !

Ahmad Haghi

Salam Dilshod Jon

In case you are still looking for help with this problem, I can introduce you to Iranian computational groups in the Telegram app. I guess there might be someone willing to help, both in Persian and/or English (Which you are good at both). In case you want to have it a try, just give me your Telegram account address.

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