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Formation of Co3+ octahedra and tetrahedra in YBaCo4O8.1

机译:YBaCo4O8.1中Co3 +八面体和四面体的形成

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High-resolution neutron and synchrotron X-ray powder diffraction experiments were performed, at 300 and 10K, for the determination of the structure of YBaCo4O8.1, which was prepared by controlled oxidation of the Kagome lattice compound YBaCo4O7. Our diffraction data demonstrate that YBaCo4O8.1 crystallizes in the orthorhombic Pbc2(1) space group with the formation of a large superstructure (a = 12.790 angstrom, b = 10.845 angstrom, c = 10. 149 angstrom), with respect to the parent trigonal YBaCo4O7 material. The Co ions occupy both corner-sharing tetrahedral and edge-sharing octahedral sites, in contrast to YBaCo4O7, which has only corner-sharing tetrahedra. The octahedral sites form by the addition of two extra oxygen atoms and the drastic displacements of some of the original O atoms relative to the parent. The edge-sharing octahedra form isolated zigzag chains parallel to the c-axis linked to one another via tetrahedra. While found in a few phosphates, silicates and germanates, this motif appears unique to YBaCo4O8.1 among mixed-metal oxides. No structural phase transition or long range anti ferromagnetic ordering are observed at 10K. (C) 2008 Elsevier Inc. All rights reserved.
机译:在300和10K上进行了高分辨率中子和同步中子X射线粉末衍射实验,以确定YBaCo4O8.1的结构,该结构是通过Kagome晶格化合物YBaCo4O7的受控氧化而制备的。我们的衍射数据表明,YBaCo4O8.1在正交的Pbc2(1)空间群中结晶,并形成一个较大的上层结构(a = 12.790埃,b = 10.845埃,c =10。149埃)。 YBaCo4O7材料。与YBaCo4O7仅具有角共享的四面体相比,Co离子同时占据了角共享的四面体和边缘共享的八面体位置。八面体位点是通过添加两个额外的氧原子以及一些原始O原子相对于母体的剧烈位移而形成的。边缘共享的八面体形成独立的之字形链,平行于c轴,通过四面体相互连接。尽管在一些磷酸盐,硅酸盐和锗酸盐中发现了该基序,但它在混合金属氧化物中似乎是YBaCo4O8.1所独有的。在10K时未观察到结构相变或远距离反铁磁有序。 (C)2008 Elsevier Inc.保留所有权利。

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