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通过单晶X射线衍射数据重新测定RhPb的晶体结构,发现存在铑缺陷。

Redetermination of the crystal structure of RhPb from single-crystal X-ray diffraction data, revealing a rhodium deficiency.

作者信息

Mochiku Takashi, Matsushita Yoshitaka, Subotić Nikola, Kashiwagi Takanari, Kadowaki Kazuo

机构信息

National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan.

University of Tsukuba, 1-1-1 Tennouda, Tsukuba, Ibaraki 305-8573, Japan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Nov 25;77(Pt 12):1327-1329. doi: 10.1107/S2056989021012275. eCollection 2021 Dec 1.

Abstract

RhPb (rhodium dilead) is a superconductor crystallizing in the CuAl structure type (space group 4/). The Rh and Pb atoms are located at the 4 (site symmetry 422) and 8 (.2) sites, respectively. The crystal structure is composed of [RhPb] anti-prisms, which share their square faces along the axis and the edges in the direction perpendicular to the axis. We have succeeded in growing single crystals of RhPb and have re-determined the crystal structure on basis of single-crystal X-ray diffraction data. In comparison with the previous structure studies using powder X-ray diffraction data [Wallbaum (1943 ▸). . , 218-221; Havinga (1972 ▸). , 169-186], the current structure analysis of RhPb leads to more precise unit-cell parameters and fractional coordinates, together with anisotropic displacement parameters for the two atoms. In addition and likewise different from the previous studies, we have found a slight deficiency of Rh in RhPb, leading to a refined formula of RhPb.

摘要

铑二铅(RhPb)是一种以CuAl结构类型(空间群4/)结晶的超导体。铑(Rh)原子和铅(Pb)原子分别位于4(点对称422)和8(.2)位置。晶体结构由[RhPb]反棱柱组成,这些反棱柱沿 轴共享其正方形面,并在垂直于 轴的方向上共享棱边。我们成功生长出了RhPb单晶,并基于单晶X射线衍射数据重新确定了晶体结构。与之前使用粉末X射线衍射数据进行的结构研究[瓦尔鲍姆(1943 ▸)..,218 - 221;哈inga (1972 ▸)..,169 - 186]相比,当前对RhPb的结构分析得出了更精确的晶胞参数和分数坐标,以及两个原子的各向异性位移参数。此外,同样与之前的研究不同,我们发现RhPb中铑存在轻微不足,从而得到了精炼后的化学式RhPb 。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/996e/8647740/0ac290000246/e-77-01327-fig1.jpg

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