{"title":"重新确定二元 IrAl2.75 到 Ir8Al21.22 的晶体结构","authors":"","doi":"10.1016/j.jssc.2024.124967","DOIUrl":null,"url":null,"abstract":"<div><p>The Ir<sub>8</sub>Al<sub>21.22</sub> binary intermetallic compound was synthesized using arc melting technique. Its crystal structure probed by single-crystal X-ray diffraction is a superstructure variant of the previously reported cubic IrAl<sub>2.75</sub> compound. Ir<sub>8</sub>Al<sub>21.22</sub> crystallizes in the <em>Fmm</em>2 space group with the unit cell parameters of <em>a</em> = 15.3307(9) Å, <em>b</em> = 15.3226(10) Å, <em>c</em> = 15.3129(9) Å, and <em>V</em> = 3597.1(4) Å<sup>3</sup>. The crystal structure contains columns of interpenetrating distorted icosahedral clusters – a characteristic feature of the approximant phases and quasicrystals. Electronic structure calculations indicate strong hybridization between valence orbitals of iridium and aluminum atoms accompanied by the formation of pseudogap, which separates the valence and conduction bands.</p></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":null,"pages":null},"PeriodicalIF":3.2000,"publicationDate":"2024-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure re-determination of binary IrAl2.75 into Ir8Al21.22\",\"authors\":\"\",\"doi\":\"10.1016/j.jssc.2024.124967\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The Ir<sub>8</sub>Al<sub>21.22</sub> binary intermetallic compound was synthesized using arc melting technique. Its crystal structure probed by single-crystal X-ray diffraction is a superstructure variant of the previously reported cubic IrAl<sub>2.75</sub> compound. Ir<sub>8</sub>Al<sub>21.22</sub> crystallizes in the <em>Fmm</em>2 space group with the unit cell parameters of <em>a</em> = 15.3307(9) Å, <em>b</em> = 15.3226(10) Å, <em>c</em> = 15.3129(9) Å, and <em>V</em> = 3597.1(4) Å<sup>3</sup>. The crystal structure contains columns of interpenetrating distorted icosahedral clusters – a characteristic feature of the approximant phases and quasicrystals. Electronic structure calculations indicate strong hybridization between valence orbitals of iridium and aluminum atoms accompanied by the formation of pseudogap, which separates the valence and conduction bands.</p></div>\",\"PeriodicalId\":378,\"journal\":{\"name\":\"Journal of Solid State Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.2000,\"publicationDate\":\"2024-08-21\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Solid State Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0022459624004213\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Solid State Chemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0022459624004213","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Crystal structure re-determination of binary IrAl2.75 into Ir8Al21.22
The Ir8Al21.22 binary intermetallic compound was synthesized using arc melting technique. Its crystal structure probed by single-crystal X-ray diffraction is a superstructure variant of the previously reported cubic IrAl2.75 compound. Ir8Al21.22 crystallizes in the Fmm2 space group with the unit cell parameters of a = 15.3307(9) Å, b = 15.3226(10) Å, c = 15.3129(9) Å, and V = 3597.1(4) Å3. The crystal structure contains columns of interpenetrating distorted icosahedral clusters – a characteristic feature of the approximant phases and quasicrystals. Electronic structure calculations indicate strong hybridization between valence orbitals of iridium and aluminum atoms accompanied by the formation of pseudogap, which separates the valence and conduction bands.
期刊介绍:
Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.