Phase transitions in the perovskite methylammonium lead bromide, CH3ND3PbBr3

Download
  1. Get@NRC: Phase transitions in the perovskite methylammonium lead bromide, CH3ND3PbBr3 (Opens in a new window)
DOIResolve DOI: http://doi.org/10.1016/S0022-4596(03)00352-9
AuthorSearch for: ; Search for: ; Search for: ; Search for: ; Search for:
TypeArticle
Journal titleJournal of Solid State Chemistry
Volume176
Issue1
Pages97104; # of pages: 8
SubjectHydrogen-bonding; Methylammonium lead halides; Neutron powder diffraction; Order-disorder; Perovskites; Rietveld refinement
AbstractThe structure of phase IV of methylammonium lead bromide, CH3ND3PbBr3, is shown from Rietveld refinement of neutron powder diffraction data to be centrosymmetric, with space group Pnma: Z=4; a=7.9434(4)??, b=11.8499(5)??, c=8.5918(4)?? at 11?K; Rwp=2.34% Rp=1.81%. This corresponds to one of the pure tilt transitions, a-b+a-, commonly observed in perovskites. Additional distortions not required by pure tilting are found in the PbBr6 octahedra, and it appears that the structure optimizes the hydrogen bonding between the methylammonium cation and the framework. It is likely that the lowest temperature phase of the corresponding iodide also has this structure. The structure is compared to the available data for that of other Pnma perovskites. A brief comparison to the higher temperature phases in which the methylammonium ion is disordered is given.
Publication date
AffiliationNational Research Council Canada; NRC Canadian Neutron Beam Centre
Peer reviewedNo
NPARC number12328552
Export citationExport as RIS
Report a correctionReport a correction
Record identifierf2efd526-0c52-499a-aad1-9f185c225684
Record created2009-09-10
Record modified2016-05-09
Bookmark and share
  • Share this page with Facebook (Opens in a new window)
  • Share this page with Twitter (Opens in a new window)
  • Share this page with Google+ (Opens in a new window)
  • Share this page with Delicious (Opens in a new window)