Sn3S4：一种新的混价硫化锡†。

IF 2.6 3区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

CrystEngComm Pub Date : 2024-10-11 DOI:10.1039/D4CE00629A

Roman Gajda, Sławomir Podsiadło, Cezariusz Jastrzębski, Piotr Dłużewski and Krzysztof Woźniak

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引用次数: 0

摘要

利用 Ag2S 催化的化学气相传输法合成了线性尺寸约为 0.1 mm 的 Sn3S4 单晶。利用单晶 X 射线衍射法确定了这种新型混合价硫化锡的晶体结构。该晶体具有规则的 Fdm 空间群对称性，单胞参数 a = 10.5018(1) Å，单胞中有 8 个 Sn3S4 式单元。Sn3S4 结构中有两种类型的 Sn 原子。它们的区别在于配位 S 原子的数目。对原子盆的积分显示，八面体排列的硒原子的电荷为 +1.27e ，四面体排列的硒原子的电荷为 +1.54e 。硫原子的综合电荷等于-1.02e。透射电子显微镜图像显示出与 X 射线精细结构的理想匹配。

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Sn3S4: a new mixed-valence tin sulfide†

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Sn3S4: a new mixed-valence tin sulfide†

Single crystals of Sn₃S₄ of about 0.1 mm in linear size were synthesized by using the method of chemical vapour transport catalyzed by Ag₂S. The crystal structure of this new mixed-valence tin sulfide was established using single-crystal X-ray diffraction. The crystal has a regular Fdm space group symmetry with the unit cell parameter a = 10.5018(1) Å and eight Sn₃S₄ formula units in the unit cell. Two types of Sn atoms are present in the structure of Sn₃S₄. They differ by the number of coordinated S atoms. Integration of atomic basins revealed that the charge at Sn atoms with the octahedral arrangement is +1.27e, and that at the tetrahedral is +1.54e. The sulfur atom has an integrated charge equal to −1.02e. Transmission electron microscopy images show ideal matching with the X-ray refined structure.