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The modulated structure of SrAuSn2

机译:SrAuSn2的调制结构

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The ternary stannide SrAuSn2 was synthesized by induction melting of the elements under an argon atmosphere in a sealed niobium ampoule in a water-cooled sample chamber of a high-frequency furnace. The structure of SrAuSn2 was investigated by X-ray powder and single crystal diffraction. It was found to be favourable to describe as a commensurately modulated structure. The 3+1 dimensional superspace group symmetry P: Cmcm (alpha, 0, 0) : 0s0 with the unit cell dimensions a = 460.20(14), b = 2038.8(8), c = 460.34(19) pin and the modulation wave vector q = (1)/(4) [100]*. The Sn1 atoms were those with the strongest modulation while the rest of the atoms showed rather small deviations from the average structure. The SrAuSn2 structure is closely related to the CeNiSi2 type. Geometrically these structures are built up from distorted ThCr2Si2 and AlB2 slabs. The gold atoms are located in the ThCr2Si2 slab. They have a distorted square pyramidal tin coordination at Au-Sn distances ranging from 266 to 294 pm. These pyramids are condensed via common edges forming two-dimensional layers. The latter are condensed via the Sn1 atoms within the AIB(2) slabs that form one-dimensional zigzag chains with Sn1-Sn1 distances ranging from 282 to 288 pm. These chains show the strong modulations. Together, the gold and tin atoms build tip a three-dimensional [AuSn2] network, in which the strontium atoms fill distorted hexagonal channels.
机译:在高频炉的水冷样品室中,在密封的铌安瓿瓶中,在氩气气氛下,通过感应熔化元素,合成三价锡SrAuSn2。通过X射线粉末和单晶衍射研究了SrAuSn2的结构。已经发现将其描述为相称调制的结构是有利的。 3 + 1维超空间群对称性P:Cmcm(alpha,0,0):0s0,单位像元尺寸为a = 460.20(14),b = 2038.8(8),c = 460.34(19)引脚和调制波向量q =(1)/(4)[100] *。 Sn1原子是具有最强调制度的原子,而其余原子显示出与平均结构的偏差很小。 SrAuSn2结构与CeNiSi2类型密切相关。从几何学上讲,这些结构是由变形的ThCr2Si2和AlB2平板构建的。金原子位于ThCr2Si2平板中。它们在Au-Sn距离从266到294 pm的范围内具有扭曲的方形锥体金字塔锡配位。这些金字塔通过形成二维层的公共边缘凝聚。后者通过AIB(2)平板内的Sn1原子凝聚,形成1维锯齿形链,且Sn1-Sn1距离范围为282至288 pm。这些链显示出强烈的调制。金和锡原子共同构成了一个三维[AuSn2]网络,其中锶原子填充了扭曲的六角形通道。

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