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DOE OSTI · 1317546

Materials Data on NdTlTe2 by Materials Project

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Abstract

NdTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Nd–Te bond lengths are 3.20 Å. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent NdTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.51 Å. Te2- is bonded to three equivalent Nd3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeNd3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNd-Te-TlNdTlTe2

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2020-07-16. Materials Data on NdTlTe2 by Materials Project. https://doi.org/10.17188/1317546

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