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DOE OSTI · 1712011

Materials Data on FeAgTe2 by Materials Project

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Abstract

FeAgTe2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te2- atoms to form distorted FeTe6 octahedra that share corners with twelve equivalent AgTe6 octahedra, edges with six equivalent FeTe6 octahedra, and faces with two equivalent AgTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Fe–Te bond lengths are 2.66 Å. Ag1+ is bonded to six equivalent Te2- atoms to form AgTe6 octahedra that share corners with twelve equivalent FeTe6 octahedra, edges with six equivalent AgTe6 octahedra, and faces with two equivalent FeTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ag–Te bond lengths are 2.98 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Fe3+ and three equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Fe-Tecrystal structureFeAgTe2

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2020-05-02. Materials Data on FeAgTe2 by Materials Project. https://doi.org/10.17188/1712011

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