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Ca3Ru3Zn13 – a zinc-rich intermetallic phase composed of closest-packed layers
Zeitschrift für Kristallographie - Crystalline Materials ( IF 1.2 ) Pub Date : 2024-02-15 , DOI: 10.1515/zkri-2023-0044 Jutta Kösters 1 , Valentin Antoine Chamard 1 , Samir F. Matar 2 , Wilma Pröbsting 1 , Theresa Block 1 , Rainer Pöttgen 1
Zeitschrift für Kristallographie - Crystalline Materials ( IF 1.2 ) Pub Date : 2024-02-15 , DOI: 10.1515/zkri-2023-0044 Jutta Kösters 1 , Valentin Antoine Chamard 1 , Samir F. Matar 2 , Wilma Pröbsting 1 , Theresa Block 1 , Rainer Pöttgen 1
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Ca3 Ru3 Zn13 was synthesized from the elements in a tantalum tube in a muffle furnace. The sample was annealed to 1123 K followed by slow cooling to enhance crystal growth. Ca3 Ru3 Zn13 was characterized through a Guinier powder pattern. The structure was refined from single crystal X-ray diffractometer data: new type, Pbcn , a = 522.92(5), b = 1792.72(14), c = 2789.6(2) pm, wR 2 = 0.0590, 3451 F 2 values, 177 variables. One can describe the Ca3 Ru3 Zn13 structure by a stacking of closest packed layers of compositions Ca6 Zn10 , Ca6 Zn12 and Ru6 Zn15 . The calcium atoms have high coordination numbers: Ca1@Zn13 Ru3 Ca2 , Ca2@Zn15 Ru4 Ca, Ca3@Zn15 Ru4 Ca and Ca4@Zn15 Ru4 Ca. The shortest interatomic distances occur between the ruthenium and zinc atoms (255–273 pm). The Ru1@Zn8 , Ru2@Zn10 and Ru3@Zn8 polyhedra condense via common edges to the [Ru3 Zn13 ] substructure which hosts the calcium atoms. The zinc substructure consists of 15 crystallographically independent zinc sites with a broader range of Zn–Zn distances (255–307 pm).
中文翻译:
Ca3Ru3Zn13 – 由最密堆积层组成的富锌金属间相
钙3 汝3 锌13 是由马弗炉中钽管中的元素合成的。将样品退火至 1123 K,然后缓慢冷却以促进晶体生长。钙3 汝3 锌13 通过 Guinier 粉末图案进行表征。根据单晶X射线衍射仪数据精炼结构:新型,铅 ,A = 522.92(5),乙 = 1792.72(14),C = 2789.6(2) 下午,WR 2 = 0.0590, 3451F 2 值,177 个变量。可以描述Ca3 汝3 锌13 由最密堆积的成分 Ca 层堆叠而成的结构6 锌10 , 钙6 锌12 和茹6 锌15 。钙原子具有高配位数:Ca1@Zn13 汝3 钙2 , Ca2@Zn15 汝4 钙、钙@锌15 汝4 Ca 和 Ca4@Zn15 汝4 约。最短的原子间距离出现在钌和锌原子之间(255-273 pm)。 Ru1@Zn8 , Ru2@Zn10 和Ru3@Zn8 多面体通过公共边凝聚到[Ru3 锌13 ] 承载钙原子的子结构。锌亚结构由 15 个晶体学上独立的锌位点组成,具有更广泛的 Zn-Zn 距离 (255-307 pm)。
更新日期:2024-02-15
中文翻译:
Ca3Ru3Zn13 – 由最密堆积层组成的富锌金属间相
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