Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe2-xSe 2

Ahrens E, Nitsche F, Doert T, Ruck M (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Crystal Research and Technology Wiley-VCH Verlag

Book Volume: 49

Pages Range: 32-37

Journal Issue: 1

DOI: 10.1002/crat.201300223

Abstract

A reversible phase transition was found for iron-deficient TlFe 2-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. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Involved external institutions

Technische Universität Dresden DE Germany (DE) Ludwig-Maximilians-Universität (LMU) DE Germany (DE)

How to cite

APA:

Ahrens, E., Nitsche, F., Doert, T., & Ruck, M. (2014). Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe2-xSe 2. Crystal Research and Technology, 49(1), 32-37. https://doi.org/10.1002/crat.201300223

MLA:

Ahrens, E., et al. "Single-crystal X-ray diffraction investigation of the reversible order-disorder phase transition in iron-deficient TlFe2-xSe 2." Crystal Research and Technology 49.1 (2014): 32-37.

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