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DOE OSTI · 1315351

Materials Data on NiAgTe2 by Materials Project

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Abstract

NiAgTe2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ni3+ is bonded to six Te2- atoms to form edge-sharing NiTe6 octahedra. There are three shorter (2.63 Å) and three longer (2.67 Å) Ni–Te bond lengths. Ag1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are one shorter (2.70 Å) and three longer (2.89 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ni3+ and one Ag1+ atom to form distorted corner-sharing TeNi3Ag tetrahedra. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Ni3+ and three equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Ni-Tecrystal structureNiAgTe2

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2020-07-16. Materials Data on NiAgTe2 by Materials Project. https://doi.org/10.17188/1315351

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