On the structure of Tl2Pb(SO4)2 and crystal chemistry of thallium‐containing sulfates

Pengyun Chen
{"title":"On the structure of Tl2Pb(SO4)2 and crystal chemistry of thallium‐containing sulfates","authors":"Pengyun Chen","doi":"10.1002/zaac.202400072","DOIUrl":null,"url":null,"abstract":"Single crystal of a thallium‐containing sulfate Tl2Pb(SO4)2 was prepared through hydrothermal crystallization starting from Tl2CO3, Pb(NO3)2 and H2SO4. The crystal structure was solved from single‐crystal X‐ray diffraction data: Tl2Pb(SO4)2 crystallizes in space group R[[EQUATION]]m with lattice parameters of a = 5.5955(2) Å, c = 22.1001(9) Å, and Z = 3, which is also corroborated by Rietveld refinement on X‐ray powder data. The crystal structure can be regarded as [Pb(SO4)2]2‐ sheets intercalated by double layers of Tl+ along the c‐axis. From a mineralogical perspective, Tl2Pb(SO4)2 belongs to the palmierite family and can further be classified within palmierite‐supergroup. Validation of the structure models was carried out utilizing various concepts including Bond Valence (BV), Charge Distribution (CD) and Madelung Part of Lattice Energy (MAPLE). Notably, a contrast in stereochemical activity of 6s2 lone electron pair (LEP) between Tl+ and Pb2+ is interpreted in terms of bonding behaviours as well as Wang‐Liebau Eccentricity (WLE) parameters. Moreover, an extensive investigation into the crystal chemistry of thallium‐containing sulfates was conducted for the first time, focusing on the coordination environment and bonding behaviour of Tl+ and corresponding WLE parameters. A comparative analysis of these structurally related compounds including Tl2Pb(SO4)2, Tl3H(SO4)2, TlBi(SO4)2, TlIn(SO4)2, TlRh(SO4)2, and TlAl(SO4)2 was delineated.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Zeitschrift für anorganische und allgemeine Chemie","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/zaac.202400072","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

Single crystal of a thallium‐containing sulfate Tl2Pb(SO4)2 was prepared through hydrothermal crystallization starting from Tl2CO3, Pb(NO3)2 and H2SO4. The crystal structure was solved from single‐crystal X‐ray diffraction data: Tl2Pb(SO4)2 crystallizes in space group R[[EQUATION]]m with lattice parameters of a = 5.5955(2) Å, c = 22.1001(9) Å, and Z = 3, which is also corroborated by Rietveld refinement on X‐ray powder data. The crystal structure can be regarded as [Pb(SO4)2]2‐ sheets intercalated by double layers of Tl+ along the c‐axis. From a mineralogical perspective, Tl2Pb(SO4)2 belongs to the palmierite family and can further be classified within palmierite‐supergroup. Validation of the structure models was carried out utilizing various concepts including Bond Valence (BV), Charge Distribution (CD) and Madelung Part of Lattice Energy (MAPLE). Notably, a contrast in stereochemical activity of 6s2 lone electron pair (LEP) between Tl+ and Pb2+ is interpreted in terms of bonding behaviours as well as Wang‐Liebau Eccentricity (WLE) parameters. Moreover, an extensive investigation into the crystal chemistry of thallium‐containing sulfates was conducted for the first time, focusing on the coordination environment and bonding behaviour of Tl+ and corresponding WLE parameters. A comparative analysis of these structurally related compounds including Tl2Pb(SO4)2, Tl3H(SO4)2, TlBi(SO4)2, TlIn(SO4)2, TlRh(SO4)2, and TlAl(SO4)2 was delineated.
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
论 Tl2Pb(SO4)2 的结构和含铊硫酸盐的晶体化学性质
从 Tl2CO3、Pb(NO3)2 和 H2SO4 开始,通过水热结晶法制备了含铊硫酸盐 Tl2Pb(SO4)2 的单晶。根据单晶 X 射线衍射数据解析了晶体结构:Tl2Pb(SO4)2 晶体的空间群为 R[[方程]]m,晶格参数为 a = 5.5955(2)埃,c = 22.1001(9)埃,Z = 3。该晶体结构可视为沿 c 轴由双层 Tl+夹层的[Pb(SO4)2]2-薄片。从矿物学角度来看,Tl2Pb(SO4)2 属于棕榈岩家族,并可进一步归入棕榈岩超群。利用各种概念,包括键价(BV)、电荷分布(CD)和马德隆晶格能(MAPLE),对结构模型进行了验证。值得注意的是,Tl+ 和 Pb2+ 之间 6s2 孤电子对(LEP)的立体化学活性对比是通过成键行为以及 Wang-Liebau 偏心率(WLE)参数来解释的。此外,还首次对含铊硫酸盐的晶体化学进行了广泛研究,重点是 Tl+ 的配位环境和成键行为以及相应的 WLE 参数。对这些结构相关的化合物进行了比较分析,包括 Tl2Pb(SO4)2、Tl3H(SO4)2、TlBi(SO4)2、TlIn(SO4)2、TlRh(SO4)2 和 TlAl(SO4)2。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
自引率
0.00%
发文量
0
期刊最新文献
Oxygen redox activity in battery cathodes and the role of underbonded oxygen High‐Pressure Synthesis and Crystal Structure of the Inoborate Ni[B2O2(OH)4] Synthesis and Single Crystal X‐ray Characterization of [Sn5Bi3]3− Chiral Homodinuclear Dysprosium Macrocyclic Complexes with Single‐molecule Magnetic Behaviours From tin(II) to tin(IV): Following solid‐liquid reactions by microscopy
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1