Hydroxocentered (OH)Tl(3) (2+) triangle as a building unit in thallium compounds: synthesis and crystal structure of Tl(4)(OH)(2)CO(3).

Siidra, O. I., Britvin, S. N. and Krivovichev, S. V. (2009) Hydroxocentered (OH)Tl(3) (2+) triangle as a building unit in thallium compounds: synthesis and crystal structure of Tl(4)(OH)(2)CO(3). Zeitschrift Fur Kristallographie, 224 (12). pp. 563-567. DOI 10.1524/zkri.2009.1213.

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Abstract

The new thallium hydroxocarbonate Tl(4)(OH)(2)CO(3) has been obtained by evaporation from aqueous solution. The crystal structure of the compound has been solved by direct methods: orthorhombic, Cmc2(l), a = 8.9963(18), b = 12.1500(30), c = 7.9542(15) angstrom, V = 869.43(3) angstrom(3), R(1) = 0.056 for 763 unique reflections with vertical bar F(o)vertical bar >= 4 sigma(F). 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 OHTl(3) triangles with the O atom located at similar to 1.00 angstrom above the Tl(3) plane. The OH(-) centered units are connected via common edges into [OH(2)Tl(4)](2+) dimers linked into chains through Tl-O bonds to CO(3) 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.

Document Type: Article
Keywords: Thallium Lone pair Oxocentered units Single crystal structure analysis X-ray diffraction bond-valence parameters lone-pair channel minerals
Research affiliation: Kiel University
Refereed: No
DOI etc.: 10.1524/zkri.2009.1213
ISSN: 0044-2968
Date Deposited: 22 Dec 2011 05:50
Last Modified: 23 Sep 2019 18:55
URI: http://oceanrep.geomar.de/id/eprint/15810

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