Chemical speciation in Gd−Cd−M (M=Zn, Au) quasicrystal approximants,Zeitschrift für anorganische und allgemeine Chemie

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Chemical speciation in Gd−Cd−M (M=Zn, Au) quasicrystal approximants
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-01-15 , DOI: 10.1002/zaac.202000414
Girma H. Gebresenbut ₁ , Cesar Pay Gómez ₁ , Lars Eriksson ₂ , Ulrich Häussermann ₂

Affiliation

We investigated the effect of partial replacement of Cd by M=Au and Zn in the crystal structure of the 1/1 Tsai‐type quasicrystal approximant (AC) GdCd₆. Compositionally homogeneous single crystal samples Gd(Cd_0.87Zn_0.13(1))₆ and Gd(Cd_0.80Au_0.20(1))₆ were grown from melts Gd₅(Cd_0.8Zn_0.2)₁₀₀ and Gd₁(Cd_0.9Au_0.1)₁₀₀, respectively, and isolated by centrifugation. The M for Cd substitution in GdCd₆ is accompanied with a sizeable reduction of the cubic unit cell parameter, from 15.514(2) Å to 15.329(1) Å (Zn) and 15.314(1) Å (Au). Site preferences were established from single crystal X‐ray diffraction data. A clear preference of atomic sites for Au and Zn is noted which is compared to earlier reported Yb(Cd_0.75Mg_0.25)₆. Three and two out of in total seven crystallographic sites defining the Cd partial structure accept preferably metals more and less electronegative than Cd, respectively, and are classified as negatively and positively polarized sites in the binary 1/1 AC.

中文翻译：

Gd-Cd-M（M = Zn，Au）准晶体近似中的化学形态

我们研究了1/1 Tsai型准晶体近似（AC）GdCd ₆的晶体结构中M = Au和Zn部分替代Cd的影响。从熔体Gd ₅（Cd _0.8 Zn _0.2）₁₀₀和Gd ₁（Cd _0.9 Au _0.1）生长出成分均匀的单晶样品Gd（Cd _0.87 Zn _0.13（1））₆和Gd（Cd _0.80 Au _0.20（1））₆分别通过离心分离得到_100μl。GdCd ₆中C取代的M伴随着立方晶胞参数的大幅降低，从15.514（2）Å（Zn）降至15.329（1）Å（Au）和15.314（1）Å（Au）。站点首选项是根据单晶X射线衍射数据确定的。与早期报道的Yb（Cd _0.75 Mg _0.25）₆相比较，注意到了对Au和Zn原子位置的明显偏爱。限定Cd部分结构的总共七个晶体学位点中的三个和两个最好分别接受比Cd多或少带负电的金属，并且在二元1/1 AC中被分类为负和正极化位。

更新日期：2021-02-05

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