Valentin Antoine Chamard, Samir F. Matar, Lars Schumacher, Christian Paulsen, Jutta Kösters, Theresa Block, Rainer Pöttgen
{"title":"英泥石型 Y3Ru","authors":"Valentin Antoine Chamard, Samir F. Matar, Lars Schumacher, Christian Paulsen, Jutta Kösters, Theresa Block, Rainer Pöttgen","doi":"10.1515/znb-2023-0058","DOIUrl":null,"url":null,"abstract":"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).","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"195 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2023-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Cementite-type Y<sub>3</sub>Ru\",\"authors\":\"Valentin Antoine Chamard, Samir F. Matar, Lars Schumacher, Christian Paulsen, Jutta Kösters, Theresa Block, Rainer Pöttgen\",\"doi\":\"10.1515/znb-2023-0058\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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).\",\"PeriodicalId\":23831,\"journal\":{\"name\":\"Zeitschrift für Naturforschung B\",\"volume\":\"195 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Zeitschrift für Naturforschung B\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1515/znb-2023-0058\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für Naturforschung B","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1515/znb-2023-0058","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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).