%0 Journal Article
%A Ahrens, E.
%A Nitsche, F.
%A Doert, Th.
%A Ruck, M.
%T Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe2-xSe2
%J Crystal research and technology
%V 49
%N 1
%@ 0232-1300
%C Weinheim
%I Wiley-VCH
%M DESY-2014-01835
%P 32 - 37
%D 2014
%X A reversible phase transition was found for iron-deficient TlFe2–xSe2 (x ≈ 0.4) and investigated on single crystals using high temperature synchrotron radiation X-ray diffraction. Full data sets have been collected at room temperature and at 200°C to evaluate the structures. The high-temperature form (space group I4/mmm, lattice parameters a = 3.8919(3) Å, c = 14.027(3) Å) shows complete statistical disorder of iron positions and vacancies in a ThCr2Si2 type structure. The low-temperature form corresponds to a √5×√5 superstructure of the ThCr2Si2 type (I4/m, a = 8.6966(2) Å, c = 14.009(9) Å) and shows partial ordering of iron positions and vacancies. A group-subgroup relation can be compiled between both structures.
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000337297500006
%R 10.1002/crat.201300223
%U https://bib-pubdb1.desy.de/record/167493