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DOE OSTI · 1663884

Materials Data on CsTe4 by Materials Project

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Abstract

CsTe4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te+0.25- atoms. There are a spread of Cs–Te bond distances ranging from 3.94–4.16 Å. There are four inequivalent Te+0.25- sites. In the first Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two Te+0.25- atoms. There are one shorter (2.83 Å) and one longer (2.96 Å) Te–Te bond lengths. In the second Te+0.25- site, Te+0.25- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms. There are a spread of Te–Te bond distances ranging from 2.80–3.37 Å. In the third Te+0.25- site, Te+0.25- is bonded in a 6-coordinate geometry to one Cs1+ and five Te+0.25- atoms. There are one shorter (2.91 Å) and one longer (3.60 Å) Te–Te bond lengths. In the fourth Te+0.25- site, Te+0.25- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and three Te+0.25- atoms.

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36 MATERIALS SCIENCEcrystal structureCs-TeCsTe4

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2020-07-23. Materials Data on CsTe4 by Materials Project. https://doi.org/10.17188/1663884

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