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Materials Data on Dy2MgSe4 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-29 收录
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https://www.osti.gov/servlets/purl/1746630/
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资源简介:
MgDy2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Se2- atoms to form MgSe4 tetrahedra that share corners with twelve equivalent DySe6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Mg–Se bond lengths are 2.63 Å. Dy3+ is bonded to six equivalent Se2- atoms to form DySe6 octahedra that share corners with six equivalent MgSe4 tetrahedra and edges with six equivalent DySe6 octahedra. All Dy–Se bond lengths are 2.87 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to one Mg2+ and three equivalent Dy3+ atoms.

MgDy₂Se₄具有尖晶石(Spinel)结构,结晶于立方晶系Fd-3m空间群。该结构为三维骨架结构。Mg²+与四个等价的Se²-配位,形成MgSe₄四面体,该四面体与十二个等价的DySe₆八面体共顶点相连,共顶点八面体的倾斜角为56°。所有Mg–Se键长均为2.63 Å。Dy³+与六个等价的Se²-配位,形成DySe₆八面体,该八面体分别与六个等价的MgSe₄四面体共顶点,同时与六个等价的DySe₆八面体共边相连。所有Dy–Se键长均为2.87 Å。Se²-以畸变矩形跷跷板型配位几何分别与一个Mg²+和三个等价的Dy³+配位。
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2024-01-31
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