title: Complete structure and cation orientation in the perovskite photovoltaic methylammonium lead iodide between 100 and 352 K.
abstract: The methylammonium cation in [CH3NH3]PbI3 demonstrates increasing positional disorder on heating from 100 K to 352 K. In the tetragonal phase, stable between 165 K and 327 K, 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.
authors: Department of Chemistry and Centre for Sustainable Technologies, University of Bath, Claverton Down, Bath, BA2 7AY, UK. m.t.weller@bath.ac.uk.
authors: Mark T
authors: MT
authors: Weller
authors: Department of Chemistry and Centre for Sustainable Technologies, University of Bath, Claverton Down, Bath, BA2 7AY, UK. m.t.weller@bath.ac.uk.
authors: Oliver J
authors: OJ
authors: Weber
authors: European Spallation Source ESS AB, P.O Box 176, SE-221 00 Lund, Sweden.
authors: Paul F
authors: PF
authors: Henry
authors: Department of Chemistry and Centre for Sustainable Technologies, University of Bath, Claverton Down, Bath, BA2 7AY, UK. m.t.weller@bath.ac.uk and Institut Laue Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France.
authors: Antonietta M
authors: AM
authors: Di Pumpo
authors: Institut Laue Langevin, 71 Avenue des Martyrs, 38000 Grenoble, France.
authors: Thomas C
authors: TC
authors: Hansen