Hi #Chemsky and #PerovSky I was wondering if anybody has a CIF file for CsBi3I10. It was reported in this paper for the first time: pubs.acs.org/doi/10.1021/... - ThreadSky

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jabla.bsky.social • 29 days ago

Hi #Chemsky and #PerovSky
I was wondering if anybody has a CIF file for CsBi3I10.
It was reported in this paper for the first time: https://pubs.acs.org/doi/10.1021/acs.jpclett.6b01452

Comments

stecanossa.bsky.social•29 days ago

Publishing an SI saying it contains "structural models" and, inside, having just a coloured picture as "model" feels like a pretty bad joke... they definitely could have phrased it better.

jabla.bsky.social•29 days ago

For me, it is not quite clear, how they got the structural model just from the GIXRD data

stecanossa.bsky.social•29 days ago

uhm... need to get to the bottom of that tomorrow

stecanossa.bsky.social•28 days ago

I did have a look: there is no structure determination, but only speculation on what they believe the structure looks like, which is a disordered combination of BiI3 and Cs3Bi2I9. The figures they provide are literally an overlay of the two unit cells of BiI3 and Cs3Bi2I9, so there is no model.

stecanossa.bsky.social•28 days ago

Look: they simply took the two structures, activated both at the same time in the vesta visualization tab, and exported the picture. They left the unit cell lines so you can see that it's not a model...

jabla.bsky.social•28 days ago

Well, so nobody seems to know the actual structure. Still, people use PXRD to identify this compound.

shababmkhan.bsky.social•29 days ago

@sartaajkhan.bsky.social

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