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Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa

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Abstract

Crystal structure of Bi2S3 was refined at eight distinct hydrostatic pressures in the range 0–10 GPa using a CCD equipped 4-circle diffractometer and a diamond-anvil cell. Coefficients of the BM3 equation of state are as follows: zero-pressure volume 498.4(7) Å3, bulk modulus K 0 36.6(15) GPa and its pressure derivative 6.4(5). The bulk of compression takes place in the structural space between Bi4S6 ribbons, where lone-electron pairs are accommodated. Eccentricity of Bi in its coordination polyhedra decreases in the process, with long Bi–S distances decreasing, whereas the opposing short Bi–S distances stay constant or even increase in length. All these phenomena are compatible with the movement of lone-electron pairs of Bi closer to the parent atom at increasing pressure.

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Acknowledgements

This research is part of the project no. 57252 of the Danish State Research Council.

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Author notes

  1. L. F. Lundegaard

    Present address: School of Physics and Centre for Science at Extreme Conditions, University of Edinburgh, Mayfield Road, Edinburgh, EH93JZ, UK

Authors and Affiliations

  1. Geological Institute, University of Copenhagen, Øster Voldgade 10, 1350, Copenhagen K, Denmark

    L. F. Lundegaard, E. Makovicky & T. Balic-Zunic

  2. Bayerisches Geoinstitut, Universität Bayreuth, 95440, Bayreuth, Germany

    T. Boffa-Ballaran

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  1. L. F. Lundegaard
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  2. E. Makovicky
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  3. T. Boffa-Ballaran
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  4. T. Balic-Zunic
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Correspondence to L. F. Lundegaard.

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Lundegaard, L.F., Makovicky, E., Boffa-Ballaran, T. et al. Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa. Phys Chem Minerals 32, 578–584 (2005). https://doi.org/10.1007/s00269-005-0033-2

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  • DOI: https://doi.org/10.1007/s00269-005-0033-2

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