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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.

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Volume 224, Issue 12


Hydroxocentered [(OH)Tl3]2+ triangle as a building unit in thallium compounds: synthesis and crystal structure of Tl4(OH)2CO3

Oleg I. Siidra / Sergey N. Britvin
  • 1 Christian-Albrechts-Universität zu Kiel, Institut für Geowissenschaften, Kiel, Deutschland
  • Other articles by this author:
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/ Sergey V. Krivovichev
  • 2 St. Petersburg State University, Faculty of Geology, Dept. of Crystallography, St. Petersburg, Russische Föderation
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2009-12-04 | DOI: https://doi.org/10.1524/zkri.2009.1213


The new thallium hydroxocarbonate Tl4(OH)2CO3 has been obtained by evaporation from aqueous solution. The crystal structure of the compound has been solved by direct methods: orthorhombic, Cmc21, a = 8.9963(18), b = 12.1500(30), c = 7.9542(15) Å, V = 869.43(3) Å3, R1 = 0.056 for 763 unique reflections with |Fo| ≥ 4σF. There are three symmetrically independent Tl+ cations in the structure. The O atoms of the OH- groups are triangularly coordinated by three Tl atoms that results in formation of OHTl3 triangles with the O atom located at approx. 1.00 Å above the Tl3 plane. The OH- centered units are connected via common edges into [OH2Tl4]2+ dimers linked into chains through Tl–O bonds to CO3 groups. The structure contains channels parallel to the c axis. The formation of the lone pair cavity causes repulsion of Tl+ cations across these cavities and, as a consequence, distortion of the Tl+ cation arrangement.

Keywords: Thallium; Lone pair; Oxocentered units; Single crystal structure analysis; X-ray diffraction

About the article

* Correspondence address: St. Petersburg State University, Department of Crystallography, University Emb. 7/9, 199034 St. Petersburg, Russische Föderation,

Published Online: 2009-12-04

Published in Print: 2009-12-01

Citation Information: Zeitschrift für Kristallographie International journal for structural, physical, and chemical aspects of crystalline materials, Volume 224, Issue 12, Pages 563–567, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2009.1213.

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