(CuI)2Cu3SbS3: Copper Iodide as Solid Solvent for Thiometalate ions
(CuI)2Cu3SbS3: Copper Iodide as Solid Solvent for Thiometalate ions
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(CuI)2Cu3SbS3：碘化铜作为硫代金属离子的固溶剂
DOI：
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发表时间：
1997
期刊：
影响因子：
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通讯作者：
A. Pfitzner
中科院分区：
文献类型：
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作者：
A. Pfitzner
(CuI)2Cu3SbS3 通过化学计量的 CuI、Cu、S 和 Sb 的固相反应制备。晶体结构是在室温和 - 80°C 下从单晶确定的。橙红色 (CuI)2Cu3SbS3 在斜方晶系中结晶，空间群 Pnnm（编号 58），a = 10.488(2)、b = 12.619(2)、c = 7.316(1) A、V = 968.2(2) A3 (20°C) 和 Z = 4。通过使用原子位移参数的 Gram-Charlier 非谐波发展表明，从 -80°C 到 20°C，动态无序度不断增加。 (CuI)2Cu3SbS3 的拉曼光谱以 362 和 338 cm-1 处的 [SbS3]3- 单元的强谱带为主。该化合物的熔化温度为 492°C（DTA，起始温度）。电导率测量显示高离子电导率（50°C 时为 6.2 × 10-5ω-1 cm-1，200°C 时为 2.9 × 10-3 ω-1 cm-1），活化能为 0.35 eV (40–275°C)。
(CuI)2Cu3SbS3 was prepared by solid-state reaction of stoichiometric amounts of CuI, Cu, S, and Sb. The crystal structure was determined from single crystals at room temperature and - 80°C. Red-orange (CuI)2Cu3SbS3 crystallizes in the orthorhombic system, space group Pnnm (no. 58) with a = 10.488(2), b = 12.619(2), c = 7.316(1) A, V = 968.2(2) A3 (20°C), and Z = 4. The distribution of the copper atoms was refined by using a Gram-Charlier nonharmonic development of their atomic displacement parameters, which indicated an increasing dynamic disorder from -80°C to 20°C. Raman spectra of (CuI)2Cu3SbS3 are dominated by strong bands for [SbS3]3- units at 362 and 338 cm-1. The compound melts at 492°C (DTA, onset). Conductivity measurements reveal high ionic conductivity (6.2 × 10-5ω-1 cm-1 at 50°C, 2.9 × 10-3 ω-1 cm-1 at 200°C) with an activation energy of 0.35 eV (40–275°C).