No. 20023 Deposited with http://cryst.instr.yamaguchi-u.ac.jp/20023

Journal: Journal of the Physical Society of Japan, Vol.71, No.7, pp.1694-1697.

Title:@Structural Study on Cubic-Tetragonal Transition of CH3NH3PbI3

Authors: *Yukihiko KAWAMURA, Hiroyuki MASHIYAMA and Katsuhiko HASEBE

Affiliation: Department of Physics, Faculty of Science, Yamaguchi University, Yamaguchi 753-8512

(Received December 13, 2001)

Abstract:
The cubic-tetragonal phase transition of CH3NH3PbI3 was investigated by single crystal X-ray diffractometry. The crystal structure was refined at five temperatures in the tetragonal phase. The PbI6 octahedron rotates around the c-axis alternatively to construct the SrTiO3-type tetragonal structure. A Methylammonium ion is partially ordered; 24 disordered states in the cubic phase are reduced to 8. With decreasing temperature, the rotation angle of the octahedron increases monotonically, which indicates it is an order parameter of the cubic-tetragonal transition.

Keywords: X-Ray Diffraction, Structure Analysis, Order Parameter, Tetragonal Phase, Methylammonium triiodideplumbate
* Corresponding author, e-mail: b4342@sty.cc.yamaguchi-u.ac.jp

DEPOSITED DATA
AXS89-type xra file (text 15KB) for Phase II (220K)

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