Valentin Antoine Chamard, Samir F. Matar, Lars Schumacher, Christian Paulsen, Jutta Kösters, Theresa Block, Rainer Pöttgen
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引用次数: 0
摘要
摘要在对Y - Ru - zn体系中富钇化合物进行相分析研究时，得到了y3ru单晶作为副产物。利用单晶x射线衍射仪数据对y3 Ru的结构进行了细化:fe3 C型，Pnma, a = 732.51(7)， b = 925.61(8)， C = 633.66(10) pm, w R = 0.0639, f2值811,23个变量。钌原子的配位数为9，呈强畸变三角钇棱镜状，Ru-Y距离为275 ~ 391 pm。第二个子结构涉及空的y6八面体(d (Y - Y) = 344-396 pm)。电子结构计算显示净电荷从钇转移到钌，并支持本质上共价的Y-Ru键。采用电弧熔炼法制备了相纯y3ru样品。温度相关磁化率研究表明，该样品具有泡利顺磁性(T = 300 K时为3.6(1)× 10−5 emu mol−1)。
Abstract Single crystals of Y 3 Ru were obtained as a side product during phase analytical studies of yttrium-rich compounds in the system Y–Ru–Zn. The structure of Y 3 Ru was refined from single-crystal X-ray diffractometer data: Fe 3 C type, Pnma , a = 732.51(7), b = 925.61(8), c = 633.66(10) pm, w R = 0.0639, 811 F 2 values, 23 variables. The ruthenium atoms have coordination number 9 in form of a strongly distorted tricapped trigonal yttrium prism with Ru–Y distances ranging from 275–391 pm. The second substructure concerns empty Y 6 octahedra ( d (Y–Y) = 344–396 pm). Electronic structure calculations show a net charge transfer from yttrium to ruthenium and underpin the essentially covalent Y–Ru bonding. A phase-pure sample of Y 3 Ru was synthesized from the elements by arc-melting. Temperature-dependent magnetic susceptibility studies of this sample reveal Pauli paramagnetism (3.6(1) × 10 −5 emu mol −1 at T = 300 K).
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