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Crystal structure of C$$_{4}$$H$$_{8}$$ONH$$_{2}$$-PbBr$$_{3}$$ by neutron and X-ray diffraction experiments

無機-有機複合化合物C$$_{4}$$H$$_{8}$$ONH$$_{2}$$-PbBr$$_{3}$$の結晶構造

川崎 卓郎; 高橋 美和子; 大原 高志*; 大嶋 建一*; 日下 勝弘*; 田中 伊知朗*; 細谷 孝明*; 山田 太郎*; 栗原 和男; 新村 信雄*

Kawasaki, Takuro; Takahashi, Miwako; Ohara, Takashi*; Oshima, Kenichi*; Kusaka, Katsuhiro*; Tanaka, Ichiro*; Hosoya, Takaaki*; Yamada, Taro*; Kurihara, Kazuo; Niimura, Nobuo*

Inorganic-organic composite material C$$_{4}$$H$$_{8}$$ONH$$_{2}$$-PbBr$$_{3}$$ has a naturally self-organized one-dimensional structure. Chains of face shearing PbBr$$_{6}$$ octahedra are isolated by C$$_{4}$$H$$_{8}$$ONH$$_{2}$$$$^{+}$$ cations to be quantum wire. PbBr$$_{6}$$ octahedra are strongly distorted because of the existence of O atom of the cations. Structural information of the organic part of the material is important to understand physical properties of the material though it is difficult to obtain the information of the organic part from X-ray diffraction data because heavy Pb atom is coexisting in the structure. Neutron diffraction data was collected at 120K using single crystal neutron diffractometer iBIX at J-PARC. X-ray diffraction data was also collected. From the obtained crystal structure, orientation of the cations and distortion tendency of PbBr$$_{6}$$ octahedra suggests the existence of attractive interaction between Pb and O atoms.

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