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DOE OSTI · 1681828

Materials Data on Fe4Te3Se by Materials Project

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Abstract

Fe4Te3Se crystallizes in the tetragonal I4mm space group. The structure is two-dimensional and consists of two Fe4Te3Se sheets oriented in the (0, 0, 1) direction. Fe2+ is bonded in a 4-coordinate geometry to three Te2- and one Se2- atom. All Fe–Te bond lengths are 2.59 Å. The Fe–Se bond length is 2.42 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to four equivalent Fe2+ atoms. Se2- is bonded in a 4-coordinate geometry to four equivalent Fe2+ atoms.

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36 MATERIALS SCIENCEcrystal structureFe-Se-TeFe4Te3Se

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2019-01-13. Materials Data on Fe4Te3Se by Materials Project. https://doi.org/10.17188/1681828

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