Published in
Royal Society of Chemistry, Chemical Communications, 20(51), p. 4180-4183, 2015
DOI: 10.1039/c4cc09944c
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Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K
Journal article published in 2015 by
Mark T. Weller,
Paul F. Henry,
Oliver J. Weber 
,
Antonietta M. Di Pumpo,
Thomas C. Hansen
,
Antonietta M. Di Pumpo,
Thomas C. Hansen
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Abstract
The methylammonium cation in [CH3NH3]PbI3 demonstrates increasing positional disorder on heating from 100K to 352K. In the tetragonal phase, stable between 165K and 327K, the cation is disordered over four sites directed toward the faces of the distorted cubic [PbI3]− framework and migrates towards the cavity centre with increasing temperature.