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DOE OSTI · 1277843

Materials Data on Cd(In2I3)2 by Materials Project

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Abstract

In4CdI6 is Krennerite-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Cd2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.89 Å) and four longer (3.12 Å) Cd–I bond lengths. In1+ is bonded in a 6-coordinate geometry to six I1- atoms. There are a spread of In–I bond distances ranging from 3.48–3.69 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to one Cd2+ and four equivalent In1+ atoms. In the second I1- site, I1- is bonded to one Cd2+ and four equivalent In1+ atoms to form distorted corner-sharing ICdIn4 square pyramids.

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36 MATERIALS SCIENCECd(In2I3)2Cd-I-Incrystal structure

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2020-07-22. Materials Data on Cd(In2I3)2 by Materials Project. https://doi.org/10.17188/1277843

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