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基于X射线粉末数据对AgCa10(PO4)7进行Rietveld精修。

Rietveld refinement of AgCa10(PO4)7 from X-ray powder data.

作者信息

Strutynska Nataliya Yu, Zatovsky Igor V, Ogorodnyk Ivan V, Slobodyanik Nikolay S

机构信息

Department of Inorganic Chemistry, Taras Shevchenko National University, 64/13 Volodymyrska str., 01601 Kyiv, Ukraine.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):i23. doi: 10.1107/S1600536813007848. Print 2013 May 1.

Abstract

Polycrystalline silver(I) deca-calcium heptakis(orthophos-phate), AgCa10(PO4)7, was obtained by solid-state reaction. It is isotopic with members of the series MCa10(PO4)7 (M = Li, Na, K and Cs), and is closely related to the structure of β-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octa-hedron (site symmetry 3.) and three PO4 tetra-hedra (one with site symmetry 3.). The Ag(+) cation is likewise located on a threefold rotation axis and resides in the cavities of the rigid Ca10(PO4)7 framework. It is surrounded by three O atoms in an almost regular triangular environment.

摘要

通过固态反应制备了多晶型的十钙七(正磷酸)银(I),即AgCa10(PO4)7。它与MCa10(PO4)7系列(M = Li、Na、K和Cs)的成员同构,并且与β-Ca3(PO4)2的结构密切相关。标题化合物的晶体结构由[CaO9]框架、两个[CaO8]多面体、一个[CaO6]八面体(位点对称性3.)和三个PO4四面体(其中一个位点对称性为3.)构成。Ag(+)阳离子同样位于三重旋转轴上,并位于刚性Ca10(PO4)7框架的空穴中。它被三个O原子包围在几乎规则的三角形环境中。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f6d7/3647781/e1a9dd7945f1/e-69-00i23-fig1.jpg

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