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DOE OSTI · 1733876

Materials Data on CdSnTe2 by Materials Project

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Abstract

CdSnTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Te2- atoms to form CdTe6 octahedra that share corners with six equivalent SnTe6 octahedra, edges with six equivalent CdTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Cd–Te bond lengths are 3.09 Å. Sn2+ is bonded to six equivalent Te2- atoms to form SnTe6 octahedra that share corners with six equivalent CdTe6 octahedra, edges with six equivalent CdTe6 octahedra, and edges with six equivalent SnTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sn–Te bond lengths are 3.19 Å. Te2- is bonded to three equivalent Cd2+ and three equivalent Sn2+ atoms to form a mixture of edge and corner-sharing TeCd3Sn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCECd-Sn-TeCdSnTe2crystal structure

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2020-05-03. Materials Data on CdSnTe2 by Materials Project. https://doi.org/10.17188/1733876

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