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Single-Crystal X-ray Study of Ba2Cu2Te4O11Br2 and Its Incommensurately Modulated Superstructure Companion
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
Stockholm University, Faculty of Science, Department of Physical, Inorganic and Structural Chemistry.
2008 (English)In: Chemistry - A European Journal, ISSN 0947-6539, E-ISSN 1521-3765, Vol. 14, no 11, 3434-3441 p.Article in journal (Refereed) Published
Abstract [en]

Compounds containing lone-pair elements such as TeIV are very interesting from the structural point of view, as the lone-pair nonbonding regions create low-dimensional geometrical arrangements. We have synthesized two new compounds with these features—Ba2Cu2Te4O11Br2 (I) and Ba2Cu2Te4O11−δ(OH)2δBr2 (II, δ≈0.57)—as members of the AE-M-Te-O-X (AE=alkaline-earth metal, M=transition metal, X=halide) family of compounds by solid-state reactions. Preliminary single-crystal X-ray analysis indicated that compound I crystallizes in the orthorhombic system, but attempts at refinement proved unsatisfactory. Closer inspection of the reciprocal lattice revealed systematic, non-crystallographic absences that indicate twinning. The structure is in fact triclinic, space group C (equivalent to P), with unit cell parameters (at 120 K) of a=10.9027(9), b=15.0864(7), c=9.379(2) Å, β=106.8947°. It is layered and built from [TeO3E] tetrahedra, [TeO3+1E] trigonal bipyramids (where E is the lone pair of TeIV), [CuO4] squares and irregular [BaO10Br] polyhedra. The crystal structure of II shows the same basic structure as I but contains additional oxygen, probably in the form of OH groups. The presence of satellites reveals that ordering on this O site creates an incommensurate modulation, primarily affecting Br and Te. The modulated structure of II was solved in the triclinic superspace group X(αβγ)0 with the vector q≈1/16 c*.

Place, publisher, year, edition, pages
2008. Vol. 14, no 11, 3434-3441 p.
Keyword [en]
alkaline earth metals, layered compounds, solid-state reactions, structure elucidation, tellurium
National Category
Other Basic Medicine
Identifiers
URN: urn:nbn:se:su:diva-24637DOI: 10.1002/chem.200701527ISI: 000255230200023OAI: oai:DiVA.org:su-24637DiVA: diva2:197980
Available from: 2008-01-08 Created: 2008-01-08 Last updated: 2011-02-11Bibliographically approved
In thesis
1. A new synthetic strategy for low-dimensional compounds: Lone pair cations and alkaline earth spacers
Open this publication in new window or tab >>A new synthetic strategy for low-dimensional compounds: Lone pair cations and alkaline earth spacers
2008 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Complex transition metals oxyhalides containing a lone pair element, such as tellurium (IV), form an attractive research field because there is a high probability of finding new low-dimensionally arranged compounds and, particularly, a low-dimensionally arranged transition metals substructures, leading to interesting physical properties. Tellurium (IV) can drive the formation of many unusual structures because of its stereochemically active lone pair electrons, E. It commonly takes a coordination of three or four oxygen atoms to form either a TeO3E square pyramid or a TeO3+1E trigonal bipyramid. These lone pairs are very important players involved in lowering the dimensionality of crystal structures. Previous studies in transition metal tellurium (IV) oxohalide quarternary systems revealed a family of compounds, many of which exhibit interesting properties e.g. magnetic frustration. The unique point of this thesis is to employ alkaline earth elements (AE) to augment this ability of lone pair elements to lower the dimensionality of the transition metal arrangements. By this double usage of “chemical scissors” (a lone pair element used in conjunction with alkaline earth elements) we obtained new types of low-dimensionally arranged compounds.

This thesis is focused on the syntheses and characterization of a series of compounds in the pentanary (five components) system AE-TeIV-TM-O-X (AE=alkaline earth metal, TM=transition metal and X=halogen), in which nine new compounds were found. The crystal structures of each of these compounds were determined by the single crystal X-ray diffraction data.

Place, publisher, year, edition, pages
Stockholm: Institutionen för fysikalisk kemi, oorganisk kemi och strukturkemi, 2008. 58 p.
Keyword
Alkaline earth, Lone pair elements, Low-dimensional compounds
National Category
Inorganic Chemistry
Research subject
Inorganic Chemistry
Identifiers
urn:nbn:se:su:diva-7284 (URN)978-91-7155-538-0 (ISBN)
Public defence
2008-01-28, Magnélisalen, Kemiska övningslaboratoriet, Svante Arrhenius väg 12 A, Stockholm, 13:00
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Available from: 2008-01-08 Created: 2008-01-08Bibliographically approved

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