混合占有：白钨矿型 LiLu[MoO4]2 的晶体结构

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI:10.1107/S2056989024004365

Ingo Hartenbach , Robin F. Hertweck , M. Weil (Editor)

{"title":"混合占有：白钨矿型 LiLu[MoO4]2 的晶体结构","authors":"Ingo Hartenbach , Robin F. Hertweck , M. Weil (Editor)","doi":"10.1107/S2056989024004365","DOIUrl":null,"url":null,"abstract":"<div>The crystal structure of LiLu[MoO4]2, which emerged as a by-product of the synthesis to obtain lithium derivatives of lutetium molybdate, adopts the scheelite type.</div><div>Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry <figure><img></figure> ) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015#). Dalton Trans. 44, 18078–18089.] all atoms were refined with anisotropic displacement parameters.</div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 607-609"},"PeriodicalIF":0.5000,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2\",\"authors\":\"Ingo Hartenbach , Robin F. Hertweck , M. Weil (Editor)\",\"doi\":\"10.1107/S2056989024004365\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>The crystal structure of LiLu[MoO4]2, which emerged as a by-product of the synthesis to obtain lithium derivatives of lutetium molybdate, adopts the scheelite type.</div><div>Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO4]2, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I41/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry <figure><img></figure> ) comprises a mixed occupancy of Li+ and Lu3+ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015#). Dalton Trans. 44, 18078–18089.] all atoms were refined with anisotropic displacement parameters.</div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 6\",\"pages\":\"Pages 607-609\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-05-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001191\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001191","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}

引用次数: 0

摘要

通过对钼酸镥的锂衍生物进行反应，得到了无色的粗大单晶双[正钼酸锂(VI)]LiLu[MoO4]2。标题化合物的结晶为白钨矿结构类型（四方晶，空间群 I41/a），每个晶胞有两个公式单元。韦氏位置 4b（位点对称性 \overline{4}）由 Li+ 和 Lu3+ 阳离子以 1:1 的比例混合占据。与之前的粉末 X 射线研究[Cheng et al. (2015). Dalton Trans. 44, 18078-18089.]相比，所有原子都采用各向异性位移参数进行了细化。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

Mixed occupancy: the crystal structure of scheelite-type LiLu[MoO4]2

The crystal structure of LiLu[MoO₄]₂, which emerged as a by-product of the synthesis to obtain lithium derivatives of lutetium molybdate, adopts the scheelite type.

Coarse colorless single crystals of lithium lutetium bis[orthomolybdate(VI)], LiLu[MoO₄]₂, were obtained as a by-product from a reaction aimed at lithium derivatives of lutetium molybdate. The title compound crystallizes in the scheelite structure type (tetragonal, space group I4₁/a) with two formula units per unit cell. The Wyckoff position 4b (site symmetry

) comprises a mixed occupancy of Li⁺ and Lu³⁺ cations in a 1:1 ratio. In comparison with a previous powder X-ray study [Cheng et al. (2015#). Dalton Trans. 44, 18078–18089.] all atoms were refined with anisotropic displacement parameters.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

期刊介绍： Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.