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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Lithium cobalt(II) pyrophosphate, Li1.86CoP2O7, from synchrotron X-ray powder data
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Lithium cobalt(II) pyrophosphate, Li1.86CoP2O7, from synchrotron X-ray powder data

机译:同步加速器X射线粉末数据中的焦磷酸锂(II)Li1.86CoP2O7

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Structure refinement of high-resolution X-ray powder diffraction data of the title compound gave the composition Li1.865CoP2O7, which is also verified by the ICP measurement. Two Co sites exist in the structure: one is a CoO5 square pyramid and the other is a CoO6 octa-hedron. They share edges and are further inter-connected through P2O7 groups, forming a three-dimensional framework, which exhibits different kinds of inter-secting tunnels containing Li cations and could be of great inter-est in Li ion battery chemistry. The structure also exhibits cation disorder with 13.5% Co residing at the lithium (Li1) site. Co seems to have an average oxidation state of 2.135, as obtained from the strutural stochiometry that closely supports the magnetic susceptibility findings.
机译:标题化合物的高分辨率X射线粉末衍射数据的结构细化得到组成Li1.865CoP2O7,其也通过ICP测量证实。结构中存在两个Co位置:一个是CoO5方形金字塔,另一个是CoO6八面体。它们共享边缘,并通过P2O7基团进一步相互连接,形成一个三维框架,该框架显示出包含锂阳离子的不同类型的相交隧道,并且在锂离子电池化学中可能具有极大的兴趣。该结构还显示出在锂(Li1)位置处有13.5%Co的阳离子无序。从结构化学计量学获得的Co似乎具有2.135的平均氧化态,紧密支持了磁化率的发现。

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