M. Toumi , F. Hlel , T. Ben Chaabane , L. Smiri , Y. Laligant , J. Emery
{"title":"Li6P6O18·3H2O的x射线粉末结构测定","authors":"M. Toumi , F. Hlel , T. Ben Chaabane , L. Smiri , Y. Laligant , J. Emery","doi":"10.1016/S0992-4361(99)80009-5","DOIUrl":null,"url":null,"abstract":"<div><p>Preparation, characterization by X-ray diffraction, IR absorption, DTA-GTA analysis and ab-initio crystal structure determination are reported for a new lithium cyclohexaphosphate hydrate Li<sub>6</sub>P<sub>6</sub>O<sub>18</sub>·3H<sub>2</sub>O. It crystallizes in a trigonal (rhomboedral) cell (space group R 3¯m No 166, Z = 6) with a = 15.7442(2) Å, c = 12.5486(2) Å. X-ray powder diffraction pattern data was refined by Rietveld profile technique and lead to R<sub>Bragg</sub> = 0.09. The crystal structure of Li<sub>6</sub>P<sub>6</sub>O<sub>18</sub>·3H<sub>2</sub>O is built up from [P<sub>6</sub>O<sub>18</sub>]<sup>6-</sup> ring anions, having the 3m symmetry, alternating along the 3¯ axis with rings made of six LiO<sub>4</sub> tetrahedra and six LiO<sub>5</sub> pseudo square pyramids sharing common edges.</p></div>","PeriodicalId":100507,"journal":{"name":"European Journal of Solid State and Inorganic Chemistry","volume":"35 10","pages":"Pages 689-697"},"PeriodicalIF":0.0000,"publicationDate":"1998-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0992-4361(99)80009-5","citationCount":"7","resultStr":"{\"title\":\"X-ray powder structure determination of Li6P6O18·3H2O\",\"authors\":\"M. Toumi , F. Hlel , T. Ben Chaabane , L. Smiri , Y. Laligant , J. Emery\",\"doi\":\"10.1016/S0992-4361(99)80009-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Preparation, characterization by X-ray diffraction, IR absorption, DTA-GTA analysis and ab-initio crystal structure determination are reported for a new lithium cyclohexaphosphate hydrate Li<sub>6</sub>P<sub>6</sub>O<sub>18</sub>·3H<sub>2</sub>O. It crystallizes in a trigonal (rhomboedral) cell (space group R 3¯m No 166, Z = 6) with a = 15.7442(2) Å, c = 12.5486(2) Å. X-ray powder diffraction pattern data was refined by Rietveld profile technique and lead to R<sub>Bragg</sub> = 0.09. The crystal structure of Li<sub>6</sub>P<sub>6</sub>O<sub>18</sub>·3H<sub>2</sub>O is built up from [P<sub>6</sub>O<sub>18</sub>]<sup>6-</sup> ring anions, having the 3m symmetry, alternating along the 3¯ axis with rings made of six LiO<sub>4</sub> tetrahedra and six LiO<sub>5</sub> pseudo square pyramids sharing common edges.</p></div>\",\"PeriodicalId\":100507,\"journal\":{\"name\":\"European Journal of Solid State and Inorganic Chemistry\",\"volume\":\"35 10\",\"pages\":\"Pages 689-697\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1998-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/S0992-4361(99)80009-5\",\"citationCount\":\"7\",\"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/S0992436199800095\",\"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/S0992436199800095","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 7
摘要
报道了新型水合环六磷酸锂Li6P6O18·3H2O的制备、x射线衍射、红外吸收、DTA-GTA分析和ab-initio晶体结构的表征。晶胞为三角形(菱形)晶胞(空间群R 3¯m No 166, Z = 6)，晶胞a = 15.7442(2) Å， c = 12.5486(2) Å。采用Rietveld剖面技术对粉末x射线衍射图数据进行细化，得到RBragg = 0.09。Li6P6O18·3H2O的晶体结构由[P6O18]6-环阴离子组成，具有3m对称，沿3¯轴交替由6个LiO4四面体和6个LiO5伪方金字塔组成的环共用边。
X-ray powder structure determination of Li6P6O18·3H2O
Preparation, characterization by X-ray diffraction, IR absorption, DTA-GTA analysis and ab-initio crystal structure determination are reported for a new lithium cyclohexaphosphate hydrate Li6P6O18·3H2O. It crystallizes in a trigonal (rhomboedral) cell (space group R 3¯m No 166, Z = 6) with a = 15.7442(2) Å, c = 12.5486(2) Å. X-ray powder diffraction pattern data was refined by Rietveld profile technique and lead to RBragg = 0.09. The crystal structure of Li6P6O18·3H2O is built up from [P6O18]6- ring anions, having the 3m symmetry, alternating along the 3¯ axis with rings made of six LiO4 tetrahedra and six LiO5 pseudo square pyramids sharing common edges.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
