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DOE OSTI · 1274338

Materials Data on Si2Bi14RhI12 by Materials Project

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Abstract

Rh(SiBi7I6)2 crystallizes in the tetragonal P4/mcc space group. The structure is two-dimensional and consists of two rhodium molecules and two SiBi7I6 sheets oriented in the (0, 0, 1) direction. In each SiBi7I6 sheet, Si4- is bonded in a 4-coordinate geometry to four equivalent Bi+1.21+ atoms. All Si–Bi bond lengths are 2.90 Å. There are three inequivalent Bi+1.21+ sites. In the first Bi+1.21+ site, Bi+1.21+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are a spread of Bi–I bond distances ranging from 3.17–3.29 Å. In the second Bi+1.21+ site, Bi+1.21+ is bonded in a distorted water-like geometry to one Si4- and one I1- atom. The Bi–I bond length is 3.73 Å. In the third Bi+1.21+ site, Bi+1.21+ is bonded in a distorted square co-planar geometry to four equivalent I1- atoms. All Bi–I bond lengths are 3.24 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Bi+1.21+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three Bi+1.21+ atoms.

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36 MATERIALS SCIENCEBi-I-Rh-Sicrystal structureSi2Bi14RhI12

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2020-04-29. Materials Data on Si2Bi14RhI12 by Materials Project. https://doi.org/10.17188/1274338

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36 MATERIALS SCIENCE↗