uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Coupled In/Te and Ni/vacancy ordering and the modulated crystal structure of a B8 type, Ni3 +/- xIn1-yTe2+y solid solution phase
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Materials Chemistry.
2007 (English)In: Journal of Solid State Chemistry, ISSN 0022-4596, E-ISSN 1095-726X, Vol. 180, no 10, 2723-2733 p.Article in journal (Refereed) Published
Abstract [en]

The commensurate superstructures of a NiAs/Ni2In type parent structure, Ni3.32InTe2 and Ni3.12In0.86Te2.14 (q = gamma[0 0 1]*, gamma = 2/3) as well as one dimensionally incommensurate structure of Ni31nTe2 (gamma = 0.71) were refined from neutron powder diffraction data (R-wp = 4.77%, 4.53% and 4.91 % for the three structures, respectively, at 298 K). The commensurate structures were refined in the P6(3)/mmc space group (c = 3c(NiAs)). The stacking sequence at the hcp array is -In/Te/Te/- and the trigonal bipyrainidal site within the In layer, Ni(2), is partially occupied while it is empty in the Te layers. The octahedral position in between the In and Te layers, Ni(1a), is fully occupied while the octahedral position in between two adjacent Te layers, Ni(1b), is partially occupied. With decreasing In and Ni content, the modulation wave vector,, was found to increase continuously until gamma = 1. From this, crenel functions to describe the whole homogeneity range of the solid solution were constructed with the length of the atomic domains Delta(Te) = gamma (and hence Delta(In) = Delta(Ni) = 1-gamma) and Delta(Ni(1b)) = gamma/2 (and hence Delta(Ni(1a)) = 1-gamma/2) which were then used for the refinement of the incommensurate structure of Ni3InTe2. The corresponding effect in real space is that the single In layers separating double layers of Te, occur less frequent when y in increasing until at gamma = 1 the CdI2 type structure of Ni1+xTe2 is reached.

Place, publisher, year, edition, pages
2007. Vol. 180, no 10, 2723-2733 p.
Keyword [en]
nias type structure, nickel telluride, nickel indium, neutron diffraction, superstructure
National Category
Chemical Sciences
URN: urn:nbn:se:uu:diva-149978DOI: 10.1016/j.jssc.2007.07.020ISI: 000251462100011OAI: oai:DiVA.org:uu-149978DiVA: diva2:406212
Available from: 2011-03-25 Created: 2011-03-24 Last updated: 2011-03-25Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text
By organisation
Department of Materials Chemistry
In the same journal
Journal of Solid State Chemistry
Chemical Sciences

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 152 hits
ReferencesLink to record
Permanent link

Direct link