首页> 外文期刊>International Journal of Quantum Chemistry >CRYSTAL STRUCTURE OF Ba3CuRu2O9 AND COMPARISON TO Ba3MRu2O9 (M=In, Co, Ni, AND Fe)
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CRYSTAL STRUCTURE OF Ba3CuRu2O9 AND COMPARISON TO Ba3MRu2O9 (M=In, Co, Ni, AND Fe)

机译:Ba3CuRu2O9的晶体结构及其与Ba3MRu2O9的比较(M = In,Co,Ni和Fe)

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摘要

The crystal structure of Ba3CuRu2O9, determined by powder neutron diffraction, is reported for temperatures of 18-295 K. Structural refinements by powder neutron diffraction for the previously reported compounds Ba3MRu2O9 for M=Fe, Co, Ni, and In are also reported. All structures consist of pairs of face-shared RuO6 octahedra interconnected by corner-sharing MO6 octahedra. For Ba3CuRu2O9, Jahn-Teller distortion of the CuO6 octahedra leads to an orthorhombic symmetry structure of space group Cmcm with a=5.6723(1), b=10.1722(3), and c=14.1575(3) angstroms at 295 K. For Ba3FeRu2O9, site occupancy disorder is found. Magnetic ordering is observed below 100, 105, and 110 K for M=Cu, Ni, and Co, respp. The magnetic structures at low temperatures for M=Co and Ni are described and compared to previous reports. 13 refs.
机译:据报道,在18-295 K的温度下,通过粉末中子衍射测定了Ba3CuRu2O9的晶体结构。还报道了通过粉末中子衍射对先前报道的化合物Ba3MRu2O9的M = Fe,Co,Ni和In进行结构细化。所有结构均由成对的面共享RuO6八面体通过角共享MO6八面体互连。对于Ba3CuRu2O9,八面体的CuO6的Jahn-Teller畸变导致空间群Cmcm的正交对称结构,在295 K时a = 5.6723(1),b = 10.1722(3)和c = 14.1575(3)埃。对于Ba3FeRu2O9 ,发现网站占用问题。对于M = Cu,Ni和Co,respp,在100、105和110 K以下观察到磁性排序。描述了M = Co和Ni在低温下的磁性结构,并将其与以前的报告进行了比较。 13个参考

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