R14(Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type,Crystal Growth & Design

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R14(Au, M)51 (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi): Stability Ranges and Site Preference in the Gd14Ag51 Structure Type
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-01-09 00:00:00 , DOI: 10.1021/acs.cgd.7b01469
Chris Celania , Volodymyr Smetana ₁ , Alessia Provino _{2,

3} , Pietro Manfrinetti _{2,

3} , Anja-Verena Mudring ₁

Affiliation

Twenty new ternary representatives of the Gd₁₄Ag₅₁ structure type have been synthesized within the R-Au-M family (R = Y, La–Nd, Sm–Tb, Ho, Er, Yb, Lu; M = Al, Ga, Ge, In, Sn, Sb, Bi) using solid state synthesis techniques. The list of post transition metals (M) involved in the formation of this type of structure could be augmented by five new representatives. All compounds crystallize in the hexagonal space group P6/m (#175) with the unit cell ranges of a = 12.3136(2)–12.918(1) Å and c = 8.9967(3)–9.385(1) Å, and incorporate different degrees of Au/M mixing. The involvement of the post transition element in the structure varies from one to another compound both qualitatively and quantitatively. A rather significant phase width can be expected for the majority of compounds, however, not without exclusions. The distribution of the post transition metals within the structure has been analyzed via single crystal X-ray diffraction. While the positional disorder of one near-origin Au position is expectable for all compounds due to steric reasons, two specimens show an obvious deviation from the others including another Au position split along the c axis. Possible factors affecting this behavior are discussed.

中文翻译：

R ₁₄（Au，M）₅₁（R = Y，La–Nd，Sm–Tb，Ho，Er，Yb，Lu； M = Al，Ga，Ge，In，Sn，Sb，Bi）：稳定性范围和部位Gd ₁₄ Ag ₅₁结构类型中的优先选择

在R-Au-M族内合成了20个Gd ₁₄ Ag ₅₁结构类型的新三元代表（R = Y，La–Nd，Sm–Tb，Ho，Er，Yb，Lu； M = Al，Ga， Ge，In，Sn，Sb，Bi）使用固态合成技术。可以通过五个新的代表来增加参与此类结构形成的过渡金属（M）的清单。所有化合物均在六边形空间群P 6 / m（＃175）中结晶，其晶胞范围为a = 12.3136（2）–12.918（1）Å和c= 8.9967（3）–9.385（1）Å，并结合了不同程度的Au / M混合。后过渡元素在结构中的参与在定性和定量上从一种化合物到另一种化合物变化。对于大多数化合物，可以预期会有相当大的相宽度，但是，并非没有排斥作用。已经通过单晶X射线衍射分析了结构内后过渡金属的分布。尽管由于空间原因，所有化合物都可能出现一个接近原点的Au位置错位，但两个标本显示出与其他标本的明显偏差，包括沿c轴分裂的另一个Au位置。讨论了影响此行为的可能因素。

更新日期：2018-01-09

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