Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds
2014 (English)In: Dalton Transactions, ISSN 1477-9226, E-ISSN 1477-9234, Vol. 43, no 42, 15812-15817 p.Article in journal (Refereed) Published
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.
IdentifiersURN: urn:nbn:se:su:diva-110162DOI: 10.1039/c4dt02084gISI: 000343958900019OAI: oai:DiVA.org:su-110162DiVA: diva2:771481