Some papers have reported that the 0D strucuture of this compuound is monoclinic at room temperature instead of orthorhombic, but no one details about atomic positions, space groups or even rietveld refinemets was done.
I did a reaseach on ICSD and COD database but nothing was found.
In the papers, the JCPDS/PDF data is #00-018-0364.
Does any one have a cif file or known the correct space group for the monoclinic CsPbBr3?
Thank you.
Go to the website of "crystallography open database".
http://www.crystallography.net/cod/
There are several cif files for CsPbBr3 compounds. See the attachments below.
CsPbBr3 crystallizes in two forms. One is white and
the other is orange coloured. The white form, at room
temperature, belongs to the orthorhombic crystal system,
space group D16-2h-Pnma, Z = 4, and it undergoes
an irreversible phase transition at 403 K into the
second form. The second form is orange coloured.
From the temperature dependence of the X-ray powder
photographs of the orange form Melier has
shown that above 403 K CsPbBr3 is cubic. At 403 K
it is tetragonal, and a monoclinic structure (a = b =
1165.4, c= 1178.2pm; y = 89.65°) is found at room
temperature. Cola et al. [6] have confirmed these cell
constants. Therefore, a minimum of four phases are
known for CsPbBr3.
Dear Mr. Dinesh Kumar, as i said in the text, i have already performed a research in this database. The CIF files that you sent to me corresponds to cubic and orthorombic systems.
Ok. For monoclinic structure follow the link:
https://materials.springer.com/isp/crystallographic/docs/sd_1602016
Dear Dinesh Kumar ,
in general Information of the unit cell content in this site, they cite the space group number 62 (Pnma), which is orthorombic again.
Dear S Kalaiselvan , can you send me the references that you cite?
Leonardo Oliveira , Follow the following article and relative references in the article:
Article Synthesis of stable and phase-adjustable CsPbBr3@Cs4PbBr6 na...
Dinesh Kumar , thank you for the reference.
I read the relatives references too, but there is no information for what i'm looking for.
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