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Materials Data on Ag3PO4 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/1741502/
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Ag3PO4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.34–2.50 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.57 Å) and one longer (1.58 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted tetrahedral geometry to three equivalent Ag1+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one P5+ atom.

磷酸银(Ag₃PO₄)以三方晶系R3c空间群(trigonal R3c space group)结晶。其晶体结构为三维结构。银(I)阳离子(Ag⁺)以畸变跷跷板型配位构型与四个氧阴离子(O²⁻)成键,Ag–O键的键长分布在2.34~2.50 埃(Å)范围内。磷(V)阳离子(P⁵⁺)以四面体配位构型与四个氧阴离子(O²⁻)成键,其中包含三条键长为1.57 Å的较短P–O键与一条键长为1.58 Å的较长P–O键。体系中存在两类不等价的氧阴离子位点:在第一类氧阴离子位点中,O²⁻以畸变四面体配位构型与三个等价的Ag⁺及一个P⁵⁺相连;在第二类氧阴离子位点中,O²⁻以1配位构型与三个等价的Ag⁺及一个P⁵⁺相连。
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2024-01-31
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