Synthesis and Structural Characterization of Cs2Ga2Se5
Synthesis and Structural Characterization of Cs2Ga2Se5
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DOI：
10.1002/zaac.201400046
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发表时间：
2014-04
期刊：
影响因子：
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通讯作者：
D. Friedrich;M. Schlosser;A. Pfitzner
中科院分区：
文献类型：
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作者：
D. Friedrich;M. Schlosser;A. Pfitzner
Cs_2Ga_2Se_5由CsN_3与化学计量的GaSe和Se在高温下反应得到。它形成嵌入纯橙子微晶粉末中的黄色晶体。用X射线单晶衍射法测定了Cs2 Ga 2Se 5的晶体结构。该化合物为单斜晶系，空间群为C2/c（No.15），a = 15.3911（5）A，B = 7.3577（2）A，c = 12.9219（3）A，β = 126.395（3）°，V = 1177.89（7）A3，Z = 4。结构特征为一维链1∞[Ga 2Se 3（Se 2）2-]，由边和角共用的GaSe 4四面体组成。拉曼光谱测量揭示了在236 cm-1处的Se 22-单元的振动带，以及在254和273 cm-1处的Ga-Se振动带。UV/维斯漫反射光谱显示带隙在约1.95 eV。
Cs2Ga2Se5 was obtained by the reaction of CsN3 with stoichiometric amounts of GaSe and Se at elevated temperature. It forms yellow crystals embedded in a pure orange microcrystalline powder. The crystal structure of Cs2Ga2Se5 was determined by single-crystal X-ray diffraction at 123 K. The compound crystallizes monoclinically in the space group C2/c (No. 15) with a = 15.3911(5) A, b = 7.3577(2) A, c = 12.9219(3) A, β = 126.395(3)°, V = 1177.89(7) A3, and Z = 4. The structure features one-dimensional chains 1∞[Ga2Se3(Se2)2–], consisting of edge- and corner sharing GaSe4 tetrahedra. Raman spectroscopic measurements reveal vibrational bands of the Se22– units at 236 cm–1, and the bands of Ga–Se vibrations at 254 and 273 cm–1. UV/Vis diffuse reflectance spectroscopy shows the bandgap at about 1.95 eV.