{"title":"一种复杂的钡、铝、氟化铜(II)的晶体结构:Ba4Cu2Al3F21","authors":"N. Dupont, M. Samouël, P. Gredin, A. de Kozak","doi":"10.1016/S0992-4361(98)80013-1","DOIUrl":null,"url":null,"abstract":"<div><p>Ba<sub>4</sub>Cu<sub>2</sub>Al<sub>3</sub>F<sub>21</sub> is orthorhombic : a = 5.299(1) Å, b = 7.318(1) Å, c = 41.529(7) Å, Z = 4. The crystal structure was solved in the space group P2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> (n<sup>o</sup>19) from X-ray single crystal data using 5682 unique reflections (3698 with F<sub>O</sub>/σ(F) > 4). It consists in a succession along <em>c</em> of 8 layers of 2 different types of sheets. The first layer, formulated [Cu<sub>2</sub>AlF<sub>11</sub>]<sup>4−</sup> in which copper-fluorine octahedra are linked by edges to form infinite distorted chains connected together by aluminium-fluorine octahedra, is followed by two [Al<sub>2</sub>F<sub>10</sub>]<sup>4−</sup> layers of infinite cischains of aluminium-fluorine octahedra linked by two vertices and another [Cu<sub>2</sub>AlF<sub>11</sub>]<sup>4−</sup> layer. These 4 layers are doubled along c by one of the screw-axes 2<sub>1</sub>. The barium ions, 12-coordinated, are inserted between the sheets.</p></div>","PeriodicalId":100507,"journal":{"name":"European Journal of Solid State and Inorganic Chemistry","volume":"35 1","pages":"Pages 39-47"},"PeriodicalIF":0.0000,"publicationDate":"1998-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0992-4361(98)80013-1","citationCount":"5","resultStr":"{\"title\":\"The crystal structure of a complex barium, aluminium, copper(II) fluoride: Ba4Cu2Al3F21\",\"authors\":\"N. Dupont, M. Samouël, P. Gredin, A. de Kozak\",\"doi\":\"10.1016/S0992-4361(98)80013-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Ba<sub>4</sub>Cu<sub>2</sub>Al<sub>3</sub>F<sub>21</sub> is orthorhombic : a = 5.299(1) Å, b = 7.318(1) Å, c = 41.529(7) Å, Z = 4. The crystal structure was solved in the space group P2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> (n<sup>o</sup>19) from X-ray single crystal data using 5682 unique reflections (3698 with F<sub>O</sub>/σ(F) > 4). It consists in a succession along <em>c</em> of 8 layers of 2 different types of sheets. The first layer, formulated [Cu<sub>2</sub>AlF<sub>11</sub>]<sup>4−</sup> in which copper-fluorine octahedra are linked by edges to form infinite distorted chains connected together by aluminium-fluorine octahedra, is followed by two [Al<sub>2</sub>F<sub>10</sub>]<sup>4−</sup> layers of infinite cischains of aluminium-fluorine octahedra linked by two vertices and another [Cu<sub>2</sub>AlF<sub>11</sub>]<sup>4−</sup> layer. These 4 layers are doubled along c by one of the screw-axes 2<sub>1</sub>. The barium ions, 12-coordinated, are inserted between the sheets.</p></div>\",\"PeriodicalId\":100507,\"journal\":{\"name\":\"European Journal of Solid State and Inorganic Chemistry\",\"volume\":\"35 1\",\"pages\":\"Pages 39-47\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1998-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S0992-4361(98)80013-1\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"European Journal of Solid State and Inorganic Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0992436198800131\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"European Journal of Solid State and Inorganic Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0992436198800131","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 5
摘要
Ba4Cu2Al3F21是正交的:a = 5.299(1) Å， b = 7.318(1) Å， c = 41.529(7) Å， Z = 4。利用5682个唯一反射(3698,FO/σ(F) >)，从x射线单晶数据中求解空间群P212121 (no19)中的晶体结构;它由2种不同类型的8层连续组成。第一层为[Cu2AlF11]4 -，其中铜氟八面体通过边缘连接形成无限扭曲链，由铝氟八面体连接在一起，随后是两个[Al2F10]4 -层，由两个顶点连接的铝氟八面体的无限顺链和另一个[Cu2AlF11]4 -层。这4层沿着c被其中一个螺旋轴21加倍。12配位的钡离子被插入薄片之间。
The crystal structure of a complex barium, aluminium, copper(II) fluoride: Ba4Cu2Al3F21
Ba4Cu2Al3F21 is orthorhombic : a = 5.299(1) Å, b = 7.318(1) Å, c = 41.529(7) Å, Z = 4. The crystal structure was solved in the space group P212121 (no19) from X-ray single crystal data using 5682 unique reflections (3698 with FO/σ(F) > 4). It consists in a succession along c of 8 layers of 2 different types of sheets. The first layer, formulated [Cu2AlF11]4− in which copper-fluorine octahedra are linked by edges to form infinite distorted chains connected together by aluminium-fluorine octahedra, is followed by two [Al2F10]4− layers of infinite cischains of aluminium-fluorine octahedra linked by two vertices and another [Cu2AlF11]4− layer. These 4 layers are doubled along c by one of the screw-axes 21. The barium ions, 12-coordinated, are inserted between the sheets.
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