Structure and properties of Na5FeSi4O12 crystallized from 5Na2O-Fe2O3-8SiO2 glass

AHMADZADEH, Mostafa, OLDS, Travis, SCRIMSHIRE, Alex, BINGHAM, Paul and MCCLOY, John (2018). Structure and properties of Na5FeSi4O12 crystallized from 5Na2O-Fe2O3-8SiO2 glass. Acta Crystallographica Section C: Structural Chemistry, 1595-1602.

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Link to published version:: https://doi.org/10.1107/S2053229618014353
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    Abstract

    The phase Na5FeSi4O12 crystallizes readily from the Na2O-Fe2O3-SiO2 glass system in a relatively large compositional range. However, its crystal structure and properties have not been studied in detail since its discovery in 1930. In this work, the Na5FeSi4O12 phase is crystallized from a host glass with 5Na2O·Fe2O3·8SiO2 stoichiometry, and both the glass and crystal are studied. It is found that the Na5FeSi4O12 phase crystallizes at ~ 720°C from the glass, and melts at ~ 830°C when heated at a rate of 10°C/min. The crystal structure was solved using single crystal X-ray diffraction, and the refined data as well as the Crystallographic Information File (CIF) are reported for the first time for the Na5FeSi4O12 phase. It exhibits trigonal symmetry, space group R3 ̅c with a = 21.418, c = 12.2911 Å. The sodium atoms located between adjacent structural channels (Na5, Na51, Na52, Na53) exhibit positional disorder and splitting which was only refined by using low temperature data collection (150 K). While ~ 7% of the total Fe cations occur as Fe2+ in the glass, 4-coordinated Fe3+ constitutes ~ 93% of the total Fe cations. However, iron in the crystal, which exhibits a paramagnetic behavior, is solely present as 6-coordinated Fe3+. The magnetic and vibrational properties of the glass and crystal are discussed to provide additional insight into the structure.

    Item Type: Article
    Uncontrolled Keywords: Na5FeSi4O12; crystal structure; Raman; Mössbauer
    Research Institute, Centre or Group - Does NOT include content added after October 2018: Materials and Engineering Research Institute > Polymers Nanocomposites and Modelling Research Centre
    Departments - Does NOT include content added after October 2018: Faculty of Science, Technology and Arts > Department of Engineering and Mathematics
    Identification Number: https://doi.org/10.1107/S2053229618014353
    Page Range: 1595-1602
    Depositing User: Paul Bingham
    Date Deposited: 18 Oct 2018 10:23
    Last Modified: 04 Mar 2019 10:09
    URI: http://shura.shu.ac.uk/id/eprint/22908

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