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Materials Data on Ca(CoN)2 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/1319485/
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Ca(CoN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CoN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form distorted corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.43 Å. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Co2+ atoms.

Ca(CoN)₂结晶于四方晶系P-4m2空间群。该结构为二维结构,包含1个沿(0, 0, 1)方向取向的Ca(CoN)₂片层。Ca²⁺与4个等价的N³⁻原子成键,形成畸变的共角CaN₄四面体。所有Ca–N键长均为2.43 Å。Co²⁺以直线型配位几何与2个等价的N³⁻原子成键,两条Co–N键长均为1.73 Å。N³⁻以矩形跷跷板型配位几何分别与2个等价的Ca²⁺和2个等价的Co²⁺原子成键。
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2024-01-31
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