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Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
2014 (English)In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 43, no 42, 15812-15817 p.Article in journal (Refereed) Published
Abstract [en]

Transparent, needle-like single crystals of the isostructural compounds [Sb4O7+3 delta X4][Zn-3](1+delta) = CL Br, I) delta approximate to 0.2 were obtained from chemical reactions in evacuated and sealed silica tubes. First, the average structure was solved in P211n but the model refined poorly and a lowering of the symmetry to the 3 + 1 dimensional space group P2(1)(alpha 0 gamma)0 gave a significantly better fit to the data. This model used second order positional modulations for all the atoms. Whereas Sb, Cl (Br, I) and most 0 positions were well behaved, there was a mismatch with Zn that was better described in a sub-cell, thus yielding a composite structure. The composite nature of the structure leads to a charge imbalance that is compensated by oxygen vacancies.

Place, publisher, year, edition, pages
2014. Vol. 43, no 42, 15812-15817 p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-110162DOI: 10.1039/c4dt02084gISI: 000343958900019OAI: oai:DiVA.org:su-110162DiVA: diva2:771481
Note

AuthorCount:4;

Available from: 2014-12-14 Created: 2014-12-08 Last updated: 2017-12-05Bibliographically approved

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