{"title":"等点状金属间化合物:以 cP24、dca 相为代表的一组实例,以及它们的空位有序变体 β-Mn 和 SrSi2","authors":"Oliver Janka, Rainer Pöttgen","doi":"10.1515/znb-2024-0002","DOIUrl":null,"url":null,"abstract":"The crystal-chemical relationship of the cubic Laves phase MgCu<jats:sub>2</jats:sub> (space group <jats:italic>F</jats:italic> <jats:inline-formula> <jats:alternatives> <m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\"> <m:mrow> <m:mi>d</m:mi> <m:mover accent=\"true\"> <m:mn>3</m:mn> <m:mo>‾</m:mo> </m:mover> </m:mrow> </m:math> <jats:tex-math> $d\\bar{3}$ </jats:tex-math> <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"graphic/j_znb_2024-0002_ineq_101.png\" /> </jats:alternatives> </jats:inline-formula> <jats:italic>m</jats:italic>, <jats:italic>cF</jats:italic>24) with the ternary phases Cd<jats:sub>2</jats:sub>Cu<jats:sub>3</jats:sub>In, Na<jats:sub>2</jats:sub>Au<jats:sub>3</jats:sub>Al, Mg<jats:sub>2</jats:sub>Rh<jats:sub>3</jats:sub>P, Li<jats:sub>2</jats:sub>Pd<jats:sub>3</jats:sub>B, Ag<jats:sub>2</jats:sub>Pd<jats:sub>3</jats:sub>S, Cu<jats:sub>3</jats:sub>Pt<jats:sub>2</jats:sub>B, Mo<jats:sub>3</jats:sub>Al<jats:sub>2</jats:sub>C, Mo<jats:sub>3</jats:sub>Ni<jats:sub>2</jats:sub>N, and V<jats:sub>3</jats:sub>Ga<jats:sub>2</jats:sub>N (subgroup <jats:italic>P</jats:italic>4<jats:sub>1</jats:sub>32, <jats:italic>cP</jats:italic>24, <jats:italic>dca</jats:italic>) is discussed based on a group-subgroup scheme. The course of the lattice parameters and the free positional parameters show substantially different distortions and thus clear differences in chemical bonding, classifying these phases as isopointal rather than isotypic (usually they are all assigned to the Mo<jats:sub>3</jats:sub>Al<jats:sub>2</jats:sub>C type). The group-subgroup scheme further shows that the <jats:italic>β</jats:italic>-Mn and SrSi<jats:sub>2</jats:sub> structures are vacancy-ordered variants of the <jats:italic>cP</jats:italic>24, <jats:italic>dca</jats:italic> phases. The structures of Mn<jats:sub>3</jats:sub>IrSi and LaIrSi (space group types <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>3; <jats:italic>translationengleiche</jats:italic> subgroups) are their ternary ordered versions.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"113 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Isopointal intermetallics: the cP24, dca phases as a representative set of examples, along with their vacancy-ordered variants β-Mn and SrSi2\",\"authors\":\"Oliver Janka, Rainer Pöttgen\",\"doi\":\"10.1515/znb-2024-0002\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The crystal-chemical relationship of the cubic Laves phase MgCu<jats:sub>2</jats:sub> (space group <jats:italic>F</jats:italic> <jats:inline-formula> <jats:alternatives> <m:math xmlns:m=\\\"http://www.w3.org/1998/Math/MathML\\\" overflow=\\\"scroll\\\"> <m:mrow> <m:mi>d</m:mi> <m:mover accent=\\\"true\\\"> <m:mn>3</m:mn> <m:mo>‾</m:mo> </m:mover> </m:mrow> </m:math> <jats:tex-math> $d\\\\bar{3}$ </jats:tex-math> <jats:inline-graphic xmlns:xlink=\\\"http://www.w3.org/1999/xlink\\\" xlink:href=\\\"graphic/j_znb_2024-0002_ineq_101.png\\\" /> </jats:alternatives> </jats:inline-formula> <jats:italic>m</jats:italic>, <jats:italic>cF</jats:italic>24) with the ternary phases Cd<jats:sub>2</jats:sub>Cu<jats:sub>3</jats:sub>In, Na<jats:sub>2</jats:sub>Au<jats:sub>3</jats:sub>Al, Mg<jats:sub>2</jats:sub>Rh<jats:sub>3</jats:sub>P, Li<jats:sub>2</jats:sub>Pd<jats:sub>3</jats:sub>B, Ag<jats:sub>2</jats:sub>Pd<jats:sub>3</jats:sub>S, Cu<jats:sub>3</jats:sub>Pt<jats:sub>2</jats:sub>B, Mo<jats:sub>3</jats:sub>Al<jats:sub>2</jats:sub>C, Mo<jats:sub>3</jats:sub>Ni<jats:sub>2</jats:sub>N, and V<jats:sub>3</jats:sub>Ga<jats:sub>2</jats:sub>N (subgroup <jats:italic>P</jats:italic>4<jats:sub>1</jats:sub>32, <jats:italic>cP</jats:italic>24, <jats:italic>dca</jats:italic>) is discussed based on a group-subgroup scheme. The course of the lattice parameters and the free positional parameters show substantially different distortions and thus clear differences in chemical bonding, classifying these phases as isopointal rather than isotypic (usually they are all assigned to the Mo<jats:sub>3</jats:sub>Al<jats:sub>2</jats:sub>C type). The group-subgroup scheme further shows that the <jats:italic>β</jats:italic>-Mn and SrSi<jats:sub>2</jats:sub> structures are vacancy-ordered variants of the <jats:italic>cP</jats:italic>24, <jats:italic>dca</jats:italic> phases. The structures of Mn<jats:sub>3</jats:sub>IrSi and LaIrSi (space group types <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>3; <jats:italic>translationengleiche</jats:italic> subgroups) are their ternary ordered versions.\",\"PeriodicalId\":23831,\"journal\":{\"name\":\"Zeitschrift für Naturforschung B\",\"volume\":\"113 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-22\",\"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-2024-0002\",\"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-2024-0002","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
立方拉维斯相 MgCu2(空间群 F d 3 ‾ $d\bar{3}$ m,cF24)与三元相 Cd2Cu3In 的晶体化学关系、Na2Au3Al、Mg2Rh3P、Li2Pd3B、Ag2Pd3S、Cu3Pt2B、Mo3Al2C、Mo3Ni2N 和 V3Ga2N(子群 P4132,cP24,dca)的三元相进行了讨论。晶格参数和自由位置参数的变化过程显示出截然不同的畸变,因此化学键也有明显的差异,从而将这些相归类为等点型而非等型相(通常它们都被归类为 Mo3Al2C 型)。基团-亚基方案进一步表明,β-Mn 和 SrSi2 结构是 cP24、dca 相的空位有序变体。Mn3IrSi和LaIrSi(空间群类型P213;平移engleiche亚群)的结构是它们的三元有序版本。
Isopointal intermetallics: the cP24, dca phases as a representative set of examples, along with their vacancy-ordered variants β-Mn and SrSi2
The crystal-chemical relationship of the cubic Laves phase MgCu2 (space group Fd3‾ $d\bar{3}$ m, cF24) with the ternary phases Cd2Cu3In, Na2Au3Al, Mg2Rh3P, Li2Pd3B, Ag2Pd3S, Cu3Pt2B, Mo3Al2C, Mo3Ni2N, and V3Ga2N (subgroup P4132, cP24, dca) is discussed based on a group-subgroup scheme. The course of the lattice parameters and the free positional parameters show substantially different distortions and thus clear differences in chemical bonding, classifying these phases as isopointal rather than isotypic (usually they are all assigned to the Mo3Al2C type). The group-subgroup scheme further shows that the β-Mn and SrSi2 structures are vacancy-ordered variants of the cP24, dca phases. The structures of Mn3IrSi and LaIrSi (space group types P213; translationengleiche subgroups) are their ternary ordered versions.