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Materials Data on UMnAl by Materials Project

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DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1757237/
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资源简介:
UMnAl is Frank-Kasper $\mu$ Phase-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 2-coordinate geometry to two equivalent U, six equivalent Mn, and six equivalent Al atoms. Both U–U bond lengths are 2.86 Å. There are two shorter (2.74 Å) and four longer (3.13 Å) U–Mn bond lengths. There are four shorter (3.11 Å) and two longer (3.15 Å) U–Al bond lengths. Mn is bonded to six equivalent U, two equivalent Mn, and four equivalent Al atoms to form distorted MnU6Mn2Al4 cuboctahedra that share corners with eight equivalent AlU6Mn4Al2 cuboctahedra, corners with ten equivalent MnU6Mn2Al4 cuboctahedra, edges with six equivalent MnU6Mn2Al4 cuboctahedra, faces with six equivalent MnU6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlU6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.76 Å. All Mn–Al bond lengths are 2.57 Å. Al is bonded to six equivalent U, four equivalent Mn, and two equivalent Al atoms to form AlU6Mn4Al2 cuboctahedra that share corners with eight equivalent MnU6Mn2Al4 cuboctahedra, corners with ten equivalent AlU6Mn4Al2 cuboctahedra, edges with six equivalent AlU6Mn4Al2 cuboctahedra, faces with six equivalent AlU6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnU6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.57 Å.

UMnAl为源自弗兰克-卡斯帕μ相(Frank-Kasper μ Phase)的晶体结构,结晶于正交晶系Imma空间群,其结构为三维架构。铀原子采用二配位几何构型,与2个等价的铀原子、6个等价的锰原子以及6个等价的铝原子成键。铀-铀键长均为2.86 Å;铀-锰键长分为两组:2个较短键长为2.74 Å,4个较长键长为3.13 Å;铀-铝键长同样分为两组:4个较短键长为3.11 Å,2个较长键长为3.15 Å。锰原子与6个等价的铀原子、2个等价的锰原子以及4个等价的铝原子成键,形成畸变的MnU₆Mn₂Al₄立方八面体(cuboctahedra);该立方八面体与8个等价的AlU₆Mn₄Al₂立方八面体共享顶点、与10个等价的MnU₆Mn₂Al₄立方八面体共享顶点、与6个等价的MnU₆Mn₂Al₄立方八面体共享棱、与6个等价的MnU₆Mn₂Al₄立方八面体共享面,同时与12个等价的AlU₆Mn₄Al₂立方八面体共享面。锰-锰键长均为2.76 Å,所有锰-铝键长均为2.57 Å。铝原子与6个等价的铀原子、4个等价的锰原子以及2个等价的铝原子成键,形成AlU₆Mn₄Al₂立方八面体;该立方八面体与8个等价的MnU₆Mn₂Al₄立方八面体共享顶点、与10个等价的AlU₆Mn₄Al₂立方八面体共享顶点、与6个等价的AlU₆Mn₄Al₂立方八面体共享棱、与6个等价的AlU₆Mn₄Al₂立方八面体共享面,同时与12个等价的MnU₆Mn₂Al₄立方八面体共享面。铝-铝键长均为2.57 Å。
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2021-01-15
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