Ca3Ru3Zn13 – a zinc-rich intermetallic phase composed of closest-packed layers

Zeitschrift für Kristallographie - Crystalline Materials Pub Date : 2024-02-15 DOI:10.1515/zkri-2023-0044

Jutta Kösters, Valentin Antoine Chamard, Samir F. Matar, Wilma Pröbsting, Theresa Block, Rainer Pöttgen

{"title":"Ca3Ru3Zn13 – a zinc-rich intermetallic phase composed of closest-packed layers","authors":"Jutta Kösters, Valentin Antoine Chamard, Samir F. Matar, Wilma Pröbsting, Theresa Block, Rainer Pöttgen","doi":"10.1515/zkri-2023-0044","DOIUrl":null,"url":null,"abstract":"Ca3Ru3Zn13 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. Ca3Ru3Zn13 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, wR2 = 0.0590, 3451 F 2 values, 177 variables. One can describe the Ca3Ru3Zn13 structure by a stacking of closest packed layers of compositions Ca6Zn10, Ca6Zn12 and Ru6Zn15. The calcium atoms have high coordination numbers: Ca1@Zn13Ru3Ca2, Ca2@Zn15Ru4Ca, Ca3@Zn15Ru4Ca and Ca4@Zn15Ru4Ca. 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 [Ru3Zn13] 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).","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"1 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für Kristallographie - Crystalline Materials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/zkri-2023-0044","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

Abstract

Ca3Ru3Zn13 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. Ca3Ru3Zn13 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, wR2 = 0.0590, 3451 F 2 values, 177 variables. One can describe the Ca3Ru3Zn13 structure by a stacking of closest packed layers of compositions Ca6Zn10, Ca6Zn12 and Ru6Zn15. The calcium atoms have high coordination numbers: Ca1@Zn13Ru3Ca2, Ca2@Zn15Ru4Ca, Ca3@Zn15Ru4Ca and Ca4@Zn15Ru4Ca. 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 [Ru3Zn13] 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).

查看原文本刊更多论文

Ca3Ru3Zn13--由最紧密堆积层组成的富锌金属间相

Ca3Ru3Zn13 是在马弗炉的钽管中由元素合成的。样品退火至 1123 K 后缓慢冷却，以促进晶体生长。Ca3Ru3Zn13 通过吉尼尔粉末图进行表征。根据单晶 X 射线衍射仪数据完善了结构：新型，Pbcn，a = 522.92(5)，b = 1792.72(14)，c = 2789.6(2) pm，wR2 = 0.0590，3451 F 2 值，177 个变量。我们可以用 Ca6Zn10、Ca6Zn12 和 Ru6Zn15 组成的最紧密堆积层来描述 Ca3Ru3Zn13 结构。钙原子的配位数很高：Ca1@Zn13Ru3Ca2、Ca2@Zn15Ru4Ca、Ca3@Zn15Ru4Ca 和 Ca4@Zn15Ru4Ca。钌原子和锌原子之间的原子间距最短（255-273 pm）。Ru1@Zn8、Ru2@Zn10 和 Ru3@Zn8 多面体通过共边凝结成[Ru3Zn13]亚结构，该亚结构中含有钙原子。锌亚结构由 15 个晶体学上独立的锌位点组成，锌-锌间距范围更广（255-307 pm）。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Zeitschrift für Kristallographie - Crystalline Materials

自引率

0.00%

发文量