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Modulated crystal structure of Pr_2SbO_2

机译:Pr_2SbO_2的调制晶体结构

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摘要

The crystal structure of commensurately modulated Pr_2SbO_2 was solved in the orthorhombic superspace group Immm(0β0)000, q = 3/4b*,a = 13.5790 (15), b = 3.9818 (18), c = 4.0041 (18) A (T = 40 K) from a crystal twinned by reticular pseudomerohedry applying the twin law (1 0 0,0 0 1, 0-10), corresponding to a rotation by 90° along the reciprocal a axis. The formation of Zintl-type Sb~(2-)-Sb~(2-) dumbbells in Pr_2~(3+)Sb~(2_)O_2~(2-) is considered to be accountable for its semiconducting properties, as observed previously. The space group for the three-dimensional commensurate super- cell a = 13.5790 (15),b = 15.9272 (18),c = 4.0041 (18) A (T = 40 K) is Pmnm.
机译:在斜方超空间群Immm(0β0)000,q = 3 / 4b *,a = 13.5790(15),b = 3.9818(18),c = 4.0041(18)A(T中,求解了相应调制的Pr_2SbO_2的晶体结构(40 K)= 40 K),这是通过应用孪生定律(1 0 0,0 0 1,0-10)通过网状伪金属学孪晶而成的,对应于沿倒数a轴旋转90°。据观察,在Pr_2〜(3+)Sb〜(2_)O_2〜(2-)中Zintl型Sb〜(2-)-Sb〜(2-)哑铃的形成被认为是其半导体性质的原因。先前。三维相称超级单元的空间组a = 13.5790(15),b = 15.9272(18),c = 4.0041(18)A(T = 40 K)为Pmnm。

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