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On the symmetry and structure of the double perovskites Ba_2LnRuO_6 (Ln = La, Pr and Nd)

机译:双钙钛矿Ba_2LnRuO_6(Ln = La,Pr和Nd)的对称性和结构

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摘要

The structures of the double perovskites Ba_2LnRuO_6 (Ln=La, Pr and Nd) at room temperature were re-investigated by profile analysis of X-ray diffraction data. It has been shown that neither the triclinic P1/I1 nor the monoclinic P2_1 space group correctly describes their structures. Ba_2LaRuO_6 is actually rhombohedral, space group R3, cell parameters a = 6.03196(10) A and α = 60.298(2)°. On the other hand, both Ba_2PrRuO_6 and Ba_2NdRuO_6 are found to be cubic, space group Fm3m, with the cell parameters a = 8.48416(6) and 8.47061(5) A, respectively.
机译:通过X射线衍射数据的谱分析,重新研究了双钙钛矿Ba_2LnRuO_6(Ln = La,Pr和Nd)在室温下的结构。已经显示,三斜P1 / I1空间和单斜P2_1 / n空间组均不能正确描述其结构。 Ba_2LaRuO_6实际上是菱形,空间组R3,单元参数a = 6.03196(10)A和α= 60.298(2)°。另一方面,发现Ba_2PrRuO_6和Ba_2NdRuO_6均为立方空间组Fm3m,单元参数分别为a = 8.48416(6)和8.47061(5)A。

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