首页> 外文期刊>International Journal of Quantum Chemistry >Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M = Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In)
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Crystal structures and magnetic properties of 6H-perovskite-type oxides Ba3MIr2O9 (M = Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In)

机译:6H-钙钛矿型氧化物Ba3MIr2O9(M = Mg,Ca,Sc,Ti,Zn,Sr,Zr,Cd和In)的晶体结构和磁性

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Crystal structures and magnetic properties of quaternary oxides Ba3MIr2O9 (M = Mg, Ca, Sc, Ti, Zn, Sr, Zr, Cd and In) were investigated. Rietveld analyses of their X-ray diffraction data indicate that they adopt the 6H-perovskite-type structure with space group P6(3)/mmc or, in the case of M = Ca, Sr and Cd, a monoclinically distorted structure with space group C2/c. The Ir valence configurations are Ba3M2+Ir25+O9 (M = Mg, Ca, Zn, Sr and Cd), Ba3M3+Ir24.5+O9 (M = Sc and In) and Ba3M4+Ir24+O9 (M = Ti and Zr). Magnetic susceptibility and specific heat measurements were carried out. In the Ba3M2+Ir25+O9, the Ir5+ ions have a non-magnetic ground state and the magnetic behavior for these compounds is explained by the Kotani's theory. For Ba3M4+Ir24+O9 the effective magnetic moment of these compounds is significantly small, although the Ir4+ ions have magnetic moment, which indicates the existence of the strong antiferromagnetic interaction between Ir4+ ions in the Ir24+O9 face-shared bioctahedra. In the case of Ba3M3+Ir24.5+O9, a specific heat anomaly was found at about 10 K (M = Sc) and 1.6 K (M = In), which suggests the magnetic ordering of the magnetic moments of Ir4+ in the (Ir4+Ir5+)O-9 bioctahedra. (c) 2006 Elsevier Inc. All rights reserved.
机译:研究了四元氧化物Ba3MIr2O9(M = Mg,Ca,Sc,Ti,Zn,Sr,Zr,Cd和In)的晶体结构和磁性。 Rietveld对其X射线衍射数据的分析表明,它们采用空间群为P6(3)/ mmc的6H钙钛矿型结构,或者在M = Ca,Sr和Cd的情况下,采用具有空间群的单临床扭曲结构C2 / c。 Ir价构型为Ba3M2 + Ir25 + O9(M = Mg,Ca,Zn,Sr和Cd),Ba3M3 + Ir24.5 + O9(M = Sc和In)和Ba3M4 + Ir24 + O9(M = Ti和Zr )。进行磁化率和比热测量。在Ba3M2 + Ir25 + O9中,Ir5 +离子具有非磁性基态,这些化合物的磁性行为由Kotani理论解释。对于Ba3M4 + Ir24 + O9,尽管Ir4 +离子具有磁矩,但这些化合物的有效磁矩非常小,这表明Ir24 + O9面共享的生物体中的Ir4 +离子之间存在强反铁磁相互作用。在Ba3M3 + Ir24.5 + O9的情况下,发现比热异常在大约10 K(M = Sc)和1.6 K(M = In)处,这表明Ir4 +的磁矩在( Ir4 + Ir5 +)O-9八面体。 (c)2006 Elsevier Inc.保留所有权利。

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