2019-04-26T15:48:27 n9107

FeSe phase transformation data

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The structure and superconducting properties of FeSe depend on stoichiometric precision in a narrow phase field with formation temperatures above 300° C. A complete understanding of crystalline growth and phase transformations of iron chalcogenides is important for control of structure, composition and superconducting properties of these materials.

We report a synchrotron X-ray diffraction study on in situ crystal growth and phase transformation of FeSe compounds for notional starting composition Fe:Se ~ 1.03. Reaction between iron and selenium during this investigation hints at a direct crystallographic relationship of specific planes within the hexagonal and tetragonal forms of FeSe as well as the suggestion that FeSe2 is a precursor for formation of Fe3Se4, hexagonal Fe0.88Se and ultimately β-FeSe.

This dataset contains structural data on FeSe compounds during these phase transformations induced by in situ heating of elemental Fe and Se in an oxygen-free environment.  Raw data from synchrotron and also TOPAS refinements of these raw data in .xye file format.

Geographical area of data collection

145.512529,-37.511274 144.593742,-37.511274 144.593742,-38.433859 145.512529,-38.433859 145.512529,-37.511274
153.317870,-26.996845 152.668523,-26.996845 152.668523,-27.767441 153.317870,-27.767441 153.317870,-26.996845

Research areas

Phase Transformation

Cite this collection

Shahbazi, Mahboobeh (2019): FeSe phase transformation . Queensland University of Technology. (Dataset) https://doi.org/10.25912/5cc29b8a1e20a

Data file types

Raw data from synchrotron and also TOPAS refinements of these raw data in .xye file format.


Creative Commons Attribution 4.0 (CC-BY)


© Queensland University of Technology, 2019.

Dates of data collection

From 25-09-2018 to 26-09-2018


Has association with
Dr Mahboobeh Shahbazi  (Researcher)


Name: Dr Mahboobeh Shahbazi
Phone: +61 432 531 829


Date record created:
Date record modified:
Record status:
Published - Open Access