{"title":"由二十面体的四维对应物决定的聚合物和紧密排列的金属晶体中的非结晶螺旋","authors":"Alexander Talis, Yaroslav Kucherinenko","doi":"10.1107/s2052520623009393","DOIUrl":null,"url":null,"abstract":"Non-crystallographic fractional screw axes are inherent to the constructions of <i>n</i>-dimensional crystallography, where 3 < <i>n</i> ≤ 8. This fact allows one to consider experimentally obtained helices as periodic approximants of helices from the four-dimensional {3,3,5} polytope and its derivative constructions. For the tetrahedral Coxeter–Boerdijk helix (tetrahelix) with a 30/11 axis from the {3,3,5} polytope, approximants with 11/4 and 8/3 axes in three-dimensional Euclidean space <img alt=\"{\\bb E}^{3}\" loading=\"lazy\" src=\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\"/> are considered. These determine the structure of rods composed of deformed tetrahedra in close-packed crystals of α-Mn and β-Mn. In the {3,3,5} polytope, highlighted here for the first time, is a 40-vertex helix with a 20/9 axis composed of seven-vertex quadruples of tetrahedra (tetrablocks), whose 7/3 approximants determine in a crystal of an α-Mn rod of deformed tetrablocks with the same period as the 11/4 approximant of the tetrahelix. In the spaces of the three-dimensional sphere and <img alt=\"{\\bb E}^{3}\" loading=\"lazy\" src=\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\"/>, the parameters of 20/9, 40/9 and 40/11 helices, as well as of their 20- and 40-vertex approximants, are calculated. The parameters of the approximant of the 40/11 helix in <img alt=\"{\\bb E}^{3}\" loading=\"lazy\" src=\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\"/> correspond to experimentally determined parameters of the α-helix, which allows us to explain the versatility of the α-helix in proteins by the symmetry of the polytope. The set of fractional axes of all periodic approximants of helices with 30/11, 20/9, 40/9, 40/11 axes, as well as the powers of these axes, are combined into a tetrahedral-polytope class of 50 basic axes. The basic axes as well as composite (defined as a combination of basic ones) fractional axes of this class cover all fractional axes known to us according to literature data for polymers, biopolymers and close-packed metals.","PeriodicalId":501081,"journal":{"name":"Acta Crystallographica Section B","volume":" 122","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2023-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron\",\"authors\":\"Alexander Talis, Yaroslav Kucherinenko\",\"doi\":\"10.1107/s2052520623009393\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Non-crystallographic fractional screw axes are inherent to the constructions of <i>n</i>-dimensional crystallography, where 3 < <i>n</i> ≤ 8. This fact allows one to consider experimentally obtained helices as periodic approximants of helices from the four-dimensional {3,3,5} polytope and its derivative constructions. For the tetrahedral Coxeter–Boerdijk helix (tetrahelix) with a 30/11 axis from the {3,3,5} polytope, approximants with 11/4 and 8/3 axes in three-dimensional Euclidean space <img alt=\\\"{\\\\bb E}^{3}\\\" loading=\\\"lazy\\\" src=\\\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\\\"/> are considered. These determine the structure of rods composed of deformed tetrahedra in close-packed crystals of α-Mn and β-Mn. In the {3,3,5} polytope, highlighted here for the first time, is a 40-vertex helix with a 20/9 axis composed of seven-vertex quadruples of tetrahedra (tetrablocks), whose 7/3 approximants determine in a crystal of an α-Mn rod of deformed tetrablocks with the same period as the 11/4 approximant of the tetrahelix. In the spaces of the three-dimensional sphere and <img alt=\\\"{\\\\bb E}^{3}\\\" loading=\\\"lazy\\\" src=\\\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\\\"/>, the parameters of 20/9, 40/9 and 40/11 helices, as well as of their 20- and 40-vertex approximants, are calculated. The parameters of the approximant of the 40/11 helix in <img alt=\\\"{\\\\bb E}^{3}\\\" loading=\\\"lazy\\\" src=\\\"/cms/asset/56d0b94f-3725-4a26-b725-dee021acf6a4/ayb2yh5028-gra-0001.png\\\"/> correspond to experimentally determined parameters of the α-helix, which allows us to explain the versatility of the α-helix in proteins by the symmetry of the polytope. The set of fractional axes of all periodic approximants of helices with 30/11, 20/9, 40/9, 40/11 axes, as well as the powers of these axes, are combined into a tetrahedral-polytope class of 50 basic axes. The basic axes as well as composite (defined as a combination of basic ones) fractional axes of this class cover all fractional axes known to us according to literature data for polymers, biopolymers and close-packed metals.\",\"PeriodicalId\":501081,\"journal\":{\"name\":\"Acta Crystallographica Section B\",\"volume\":\" 122\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-11-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section B\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/s2052520623009393\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section B","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/s2052520623009393","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Non-crystallographic helices in polymers and close-packed metallic crystals determined by the four-dimensional counterpart of the icosahedron
Non-crystallographic fractional screw axes are inherent to the constructions of n-dimensional crystallography, where 3 < n ≤ 8. This fact allows one to consider experimentally obtained helices as periodic approximants of helices from the four-dimensional {3,3,5} polytope and its derivative constructions. For the tetrahedral Coxeter–Boerdijk helix (tetrahelix) with a 30/11 axis from the {3,3,5} polytope, approximants with 11/4 and 8/3 axes in three-dimensional Euclidean space are considered. These determine the structure of rods composed of deformed tetrahedra in close-packed crystals of α-Mn and β-Mn. In the {3,3,5} polytope, highlighted here for the first time, is a 40-vertex helix with a 20/9 axis composed of seven-vertex quadruples of tetrahedra (tetrablocks), whose 7/3 approximants determine in a crystal of an α-Mn rod of deformed tetrablocks with the same period as the 11/4 approximant of the tetrahelix. In the spaces of the three-dimensional sphere and , the parameters of 20/9, 40/9 and 40/11 helices, as well as of their 20- and 40-vertex approximants, are calculated. The parameters of the approximant of the 40/11 helix in correspond to experimentally determined parameters of the α-helix, which allows us to explain the versatility of the α-helix in proteins by the symmetry of the polytope. The set of fractional axes of all periodic approximants of helices with 30/11, 20/9, 40/9, 40/11 axes, as well as the powers of these axes, are combined into a tetrahedral-polytope class of 50 basic axes. The basic axes as well as composite (defined as a combination of basic ones) fractional axes of this class cover all fractional axes known to us according to literature data for polymers, biopolymers and close-packed metals.