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DOE OSTI · 1188342

Materials Data on CsNdTe2 by Materials Project

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Abstract

CsNdTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Te2- atoms to form distorted CsTe6 octahedra that share corners with six equivalent NdTe6 octahedra, edges with six equivalent CsTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Cs–Te bond lengths are 3.84 Å. Nd3+ is bonded to six equivalent Te2- atoms to form NdTe6 octahedra that share corners with six equivalent CsTe6 octahedra, edges with six equivalent CsTe6 octahedra, and edges with six equivalent NdTe6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Nd–Te bond lengths are 3.22 Å. Te2- is bonded to three equivalent Cs1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing TeCs3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureCs-Nd-TeCsNdTe2

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2020-07-16. Materials Data on CsNdTe2 by Materials Project. https://doi.org/10.17188/1188342

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