Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds
(2014) In Dalton Transactions 43(42). p.15812-15817- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4875001
- author
- Zimmermann, Iwan ; Corgnet, Alexis ; Johnsson, Mats and Lidin, Sven LU
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Dalton Transactions
- volume
- 43
- issue
- 42
- pages
- 15812 - 15817
- publisher
- Royal Society of Chemistry
- external identifiers
-
- wos:000343958900019
- scopus:84908361031
- ISSN
- 1477-9234
- DOI
- 10.1039/c4dt02084g
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Polymer and Materials Chemistry (LTH) (011001041)
- id
- 88259f19-f542-4f0e-9e15-5d238a0c4359 (old id 4875001)
- date added to LUP
- 2016-04-01 10:48:16
- date last changed
- 2025-04-04 15:19:56
@article{88259f19-f542-4f0e-9e15-5d238a0c4359,
abstract = {{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.}},
author = {{Zimmermann, Iwan and Corgnet, Alexis and Johnsson, Mats and Lidin, Sven}},
issn = {{1477-9234}},
language = {{eng}},
number = {{42}},
pages = {{15812--15817}},
publisher = {{Royal Society of Chemistry}},
series = {{Dalton Transactions}},
title = {{Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds}},
url = {{http://dx.doi.org/10.1039/c4dt02084g}},
doi = {{10.1039/c4dt02084g}},
volume = {{43}},
year = {{2014}},
}