New Cluster Precursors K7 and K9 for Self-Assembly of Crystal Structures of the Fe3(PFe3)P2-hP9, Zr3(NiAl3)Ni2-hP9, Y3(NiAl3)Ge2 -hP9, Pr3(CoAl3)Co3(CoPr3)Ge-hP15, and Mg(Y2Cu2Mg4)Y3(CuMg3)Cu2-oP36 Families
{"title":"New Cluster Precursors K7 and K9 for Self-Assembly of Crystal Structures of the Fe3(PFe3)P2-hP9, Zr3(NiAl3)Ni2-hP9, Y3(NiAl3)Ge2 -hP9, Pr3(CoAl3)Co3(CoPr3)Ge-hP15, and Mg(Y2Cu2Mg4)Y3(CuMg3)Cu2-oP36 Families","authors":"G. D. Ilyushin","doi":"10.1134/s1063774523600783","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>A geometrical and topological analysis has been performed and the self-assembly of crystal structures of the Fe<sub>3</sub>(PFe<sub>3</sub>)P<sub>2</sub>-<i>hP</i>9, Zr<sub>3</sub>(NiAl<sub>3</sub>)Ni<sub>2</sub>-<i>hP</i>9, and Y<sub>3</sub>(NiAl<sub>3</sub>)Ge<sub>2</sub>\n<i>-hP</i>9 (sp. gr. <i>P</i>\n<span>\\(\\bar {6}\\)</span>2<i>m</i>, no. 189), Pr<sub>3</sub>(CoAl<sub>3</sub>)Co<sub>3</sub>(CoPr<sub>3</sub>)Ge-<i>hP</i>15 (sp. gr. <i>P</i>\n<span>\\(\\bar {6}\\)</span>2<i>m</i>, no.189), and Mg(Y<sub>2</sub>Cu<sub>2</sub>Mg<sub>4</sub>)Y<sub>3</sub>(CuMg<sub>3</sub>)Cu<sub>2</sub>-<i>oP</i>36 (sp. gr. <i>Pmma</i>, no 51) families has been simulated using computer methods (ToposPro software). The precursor metal clusters of the crystal structures are determined based on the algorithms of structural-graph decomposition in cluster structures. For the topological set of binary, ternary, and quaternary intermetallic compounds Fe<sub>3</sub>(PFe<sub>3</sub>)P<sub>2</sub>-<i>hP</i>9, Zr<sub>3</sub>(NiAl<sub>3</sub>)Ni<sub>2</sub>-<i>hP</i>9, and Y<sub>3</sub>(NiAl<sub>3</sub>)Ge<sub>2</sub>\n<i>-hP</i>9, which constitute 15, 580, and 64 compounds, a version of their self-assembly from templated precursor clusters Fe<sub>3</sub>(PFe<sub>3</sub>), Zr<sub>3</sub>(NiAl<sub>3</sub>)Ni<sub>2</sub>, and Y<sub>3</sub>(NiAl<sub>3</sub>)Ge<sub>2</sub> with participation of spacer atoms P, Ni, and Ge is considered. Two chemically different seven-atom precursor clusters are established for quaternary intermetallic compounds of the Pr<sub>3</sub>(CoAl<sub>3</sub>)Co<sub>3</sub>(CoPr<sub>3</sub>)Ge-<i>hP</i>15 family: <i>K</i>7 = Pr<sub>3</sub>(CoAl<sub>3</sub>) and <i>K</i>7 = Co<sub>3</sub>(CoPr<sub>3</sub>), as well as Ge spacer atoms. Seven-atom precursor cluster <i>K</i>7 = 0@Y<sub>3</sub>(CuMg<sub>3</sub>), new-type nine-atom cluster <i>K</i>9 = Mg(Y<sub>2</sub>Cu<sub>2</sub>Mg<sub>4</sub>), and Cu spacer atom are established for the ternary intermetallic compound Mg(Y<sub>2</sub>Cu<sub>2</sub>Mg<sub>4</sub>)Y<sub>3</sub>(CuMg<sub>3</sub>)Cu<sub>2</sub>-<i>oP</i>36, which has no analogues. The symmetry and topology code of the self-assembly of crystal structures of intermetallic compounds from precursor clusters <i>K</i>7 and <i>K</i>9 is reconstructed in the following form: chain <span>\\(S_{3}^{1}\\)</span> → microlayer <span>\\(S_{3}^{2}\\)</span> → microframework <span>\\(S_{3}^{3}\\)</span>.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":null,"pages":null},"PeriodicalIF":0.6000,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystallography Reports","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1134/s1063774523600783","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
A geometrical and topological analysis has been performed and the self-assembly of crystal structures of the Fe3(PFe3)P2-hP9, Zr3(NiAl3)Ni2-hP9, and Y3(NiAl3)Ge2-hP9 (sp. gr. P\(\bar {6}\)2m, no. 189), Pr3(CoAl3)Co3(CoPr3)Ge-hP15 (sp. gr. P\(\bar {6}\)2m, no.189), and Mg(Y2Cu2Mg4)Y3(CuMg3)Cu2-oP36 (sp. gr. Pmma, no 51) families has been simulated using computer methods (ToposPro software). The precursor metal clusters of the crystal structures are determined based on the algorithms of structural-graph decomposition in cluster structures. For the topological set of binary, ternary, and quaternary intermetallic compounds Fe3(PFe3)P2-hP9, Zr3(NiAl3)Ni2-hP9, and Y3(NiAl3)Ge2-hP9, which constitute 15, 580, and 64 compounds, a version of their self-assembly from templated precursor clusters Fe3(PFe3), Zr3(NiAl3)Ni2, and Y3(NiAl3)Ge2 with participation of spacer atoms P, Ni, and Ge is considered. Two chemically different seven-atom precursor clusters are established for quaternary intermetallic compounds of the Pr3(CoAl3)Co3(CoPr3)Ge-hP15 family: K7 = Pr3(CoAl3) and K7 = Co3(CoPr3), as well as Ge spacer atoms. Seven-atom precursor cluster K7 = 0@Y3(CuMg3), new-type nine-atom cluster K9 = Mg(Y2Cu2Mg4), and Cu spacer atom are established for the ternary intermetallic compound Mg(Y2Cu2Mg4)Y3(CuMg3)Cu2-oP36, which has no analogues. The symmetry and topology code of the self-assembly of crystal structures of intermetallic compounds from precursor clusters K7 and K9 is reconstructed in the following form: chain \(S_{3}^{1}\) → microlayer \(S_{3}^{2}\) → microframework \(S_{3}^{3}\).
期刊介绍：
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.
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