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DOE OSTI · 1726710

Materials Data on CdSe2 by Materials Project

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Abstract

CdSe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent Se1- atoms to form CdSe6 octahedra that share corners with twelve equivalent CdSe6 octahedra and corners with six equivalent SeCd3Se tetrahedra. The corner-sharing octahedral tilt angles are 67°. All Cd–Se bond lengths are 2.85 Å. Se1- is bonded to three equivalent Cd2+ and one Se1- atom to form distorted SeCd3Se tetrahedra that share corners with three equivalent CdSe6 octahedra and corners with fifteen equivalent SeCd3Se tetrahedra. The corner-sharing octahedral tilt angles are 75°. The Se–Se bond length is 2.40 Å.

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36 MATERIALS SCIENCECd-SeCdSe2crystal structure

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2020-05-03. Materials Data on CdSe2 by Materials Project. https://doi.org/10.17188/1726710

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