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Materials Data on InRhO3 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/1680228/
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RhInO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rh3+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Rh–O bond distances ranging from 2.01–2.59 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of In–O bond distances ranging from 2.15–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rh3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Rh3+ and two equivalent In3+ atoms.

三氧化铑铟(RhInO₃)结晶于正交晶系Pnma空间群,其晶体结构为三维骨架结构。铑(III)阳离子(Rh³+)以畸变矩形跷跷板型配位环境与六个氧(II)阴离子(O²-)配位,铑-氧键长分布于2.01–2.59 Å区间。铟(III)阳离子(In³+)与六个氧(II)阴离子配位形成共角InO₆八面体,此类共角八面体的倾斜角范围为54°至56°,铟-氧键长分布于2.15–2.34 Å区间。该晶体存在两个不等价的氧(II)阴离子位点:在第一类氧位点中,氧(II)离子以三配位几何构型与两个等价的铑(III)阳离子及两个等价的铟(III)阳离子成键;在第二类氧位点中,氧(II)离子以畸变跷跷板型配位几何构型与两个等价的铑(III)阳离子及两个等价的铟(III)阳离子成键。
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2024-01-31
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