首页> 外文期刊>International Journal of Quantum Chemistry >Ternary intermetallics with high zinc content: TT'_2Zn_(20) (T = Zr, Hf, Nb; T' = Mn, Fe, Ru, Co, Rh, Ni) with CeCr_2Al_(20)-type structure
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Ternary intermetallics with high zinc content: TT'_2Zn_(20) (T = Zr, Hf, Nb; T' = Mn, Fe, Ru, Co, Rh, Ni) with CeCr_2Al_(20)-type structure

机译:具有高锌含量的三元金属间化合物:具有CeCr_2Al_(20)型结构的TT'_2Zn_(20)(T = Zr,Hf,Nb; T'= Mn,Fe,Ru,Co,Rh,Ni)

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摘要

Fourteen new compounds TT'_2Zn_(20) were prepared by reaction of the elemental components. They crystallize with the cubic CeCr_2Al_(20)-type structure (space group Fd3m, Z = 8), which was refined from single-crystal X-ray data of HfRu_2Zn_(20) (a = 1406.9(1) pm) and NbFe_2Zn_(20) (a = 1387.9(1) pm) to conventional residuals of R = 0.018 and R = 0.022 for 268 and 144 structure factors, respectively, and 17 variable parameters each. The structure of the compound NbCo_2Zn_(20) (a = 1382.2(10 pm) was refined from X-ray powder data of R_F = 0.031. The occupancy parameters have practically the ideal values for all five atomic sites of the three structures.The largest voids in this structure are octahedral with a size similar to those in the structure of elemental zinc.
机译:通过元素组分的反应制备了十四种新化合物TT'_2Zn_(20)。它们以立方CeCr_2Al_(20)型结构(空间群Fd3m,Z = 8)结晶,该结构从HfRu_2Zn_(20)(a = 1406.9(1)pm)和NbFe_2Zn_( 20)(a = 1387.9(1)pm)分别对于268和144个结构因子以及17个可变参数分别为R = 0.018和R = 0.022的常规残差。根据R_F = 0.031的X射线粉末数据对化合物NbCo_2Zn_(20)(a = 1382.2(10 pm))的结构进行了改进。占据参数对于这三个结构的所有五个原子位点都具有理想值。该结构中的空隙是八面体,其大小与元素锌的结构相似。

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