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Materials Data on Lu2S3 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-28 收录
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https://www.osti.gov/servlets/purl/1717478/
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Lu2S3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Lu3+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing LuS5 trigonal bipyramids. There are a spread of Lu–S bond distances ranging from 2.57–2.73 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three equivalent Lu3+ atoms. In the second S2- site, S2- is bonded in a see-saw-like geometry to four equivalent Lu3+ atoms.

三硫化二镥(Lu₂S₃)结晶于单斜晶系C2/c空间群。该晶体结构为三维骨架结构。Lu³+与五个S²-配位,形成兼具共棱与共顶点连接方式的LuS₅三角双锥结构单元。Lu-S键的键长分布范围为2.57~2.73 Å。体系中存在两种不等价的S²-配位位点:在第一种S²-位点中,S²-与三个等价的Lu³+配位,配位几何为畸变T型;在第二种S²-位点中,S²-与四个等价的Lu³+配位,配位几何为跷跷板型。
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2024-01-31
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