Redetermination of the crystal structure of RhPb(2) from single-crystal X-ray diffraction data, revealing a rhodium deficiency

利用单晶X射线衍射数据重新测定RhPb(2)的晶体结构,揭示了铑的缺失。

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Abstract

RhPb(2) (rhodium dilead) is a superconductor crystallizing in the CuAl(2) structure type (space group I4/mcm). The Rh and Pb atoms are located at the 4a (site symmetry 422) and 8h (m.2m) sites, respectively. The crystal structure is composed of [RhPb(8)] anti-prisms, which share their square faces along the c axis and the edges in the direction perpendicular to the c axis. We have succeeded in growing single crystals of RhPb(2) 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 ▸). Z. Metallkd. 35, 218-221; Havinga et al. (1972 ▸). J. Less-Common Met. 27, 169-186], the current structure analysis of RhPb(2) 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(2), leading to a refined formula of Rh(0.950 (9))Pb(2).

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