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Materials Data on Gd4Co3 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/1757934/
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Gd4Co3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Gd–Co bond distances ranging from 2.86–3.04 Å. In the second Gd site, Gd is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Gd–Co bond distances ranging from 2.86–3.06 Å. In the third Gd site, Gd is bonded in a 7-coordinate geometry to seven Co atoms. There are a spread of Gd–Co bond distances ranging from 2.86–3.04 Å. In the fourth Gd site, Gd is bonded to four Co atoms to form a mixture of distorted edge and corner-sharing GdCo4 tetrahedra. There are a spread of Gd–Co bond distances ranging from 2.82–3.03 Å. In the fifth Gd site, Gd is bonded to four Co atoms to form a mixture of distorted edge and corner-sharing GdCo4 tetrahedra. There are a spread of Gd–Co bond distances ranging from 2.82–3.03 Å. In the sixth Gd site, Gd is bonded to four Co atoms to form a mixture of distorted edge and corner-sharing GdCo4 tetrahedra. There are a spread of Gd–Co bond distances ranging from 2.81–3.01 Å. There are five inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Gd and one Co atom. The Co–Co bond length is 2.38 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Gd and one Co atom. The Co–Co bond length is 2.37 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Gd and one Co atom. The Co–Co bond length is 2.38 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to six Gd and three Co atoms. In the fifth Co site, Co is bonded in a 6-coordinate geometry to six Gd atoms.

Gd₄Co₃晶体属于三斜晶系P-1空间群,其结构为三维结构。存在六个不等价的Gd位点:在第一个Gd位点中,Gd原子以七配位几何结构与七个Co原子成键,Gd-Co键长分布在2.86至3.04埃之间;在第二个Gd位点中,Gd原子以七配位几何结构与七个Co原子成键,Gd-Co键长分布在2.86至3.06埃之间;在第三个Gd位点中,Gd原子以七配位几何结构与七个Co原子成键,Gd-Co键长分布在2.86至3.04埃之间;在第四个Gd位点中,Gd原子与四个Co原子成键,形成扭曲的边共享和角共享GdCo₄四面体的混合结构,Gd-Co键长分布在2.82至3.03埃之间;在第五个Gd位点中,Gd原子与四个Co原子成键,形成扭曲的边共享和角共享GdCo₄四面体的混合结构,Gd-Co键长分布在2.82至3.03埃之间;在第六个Gd位点中,Gd原子与四个Co原子成键,形成扭曲的边共享和角共享GdCo₄四面体的混合结构,Gd-Co键长分布在2.81至3.01埃之间。此外,存在五个不等价的Co位点:在第一个Co位点中,Co原子以九配位几何结构与八个Gd原子和一个Co原子成键,Co-Co键长为2.38埃;在第二个Co位点中,Co原子以九配位几何结构与八个Gd原子和一个Co原子成键,Co-Co键长为2.37埃;在第三个Co位点中,Co原子以九配位几何结构与八个Gd原子和一个Co原子成键,Co-Co键长为2.38埃;在第四个Co位点中,Co原子以九配位几何结构与六个Gd原子和三个Co原子成键;在第五个Co位点中,Co原子以六配位几何结构与六个Gd原子成键。
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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