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DOE OSTI · 1203655

Materials Data on TlGeI3 by Materials Project

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Abstract

TlGeI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.65–3.86 Å. Ge2+ is bonded to six I1- atoms to form edge-sharing GeI6 octahedra. There are a spread of Ge–I bond distances ranging from 2.88–3.21 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to one Tl1+ and three equivalent Ge2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Tl1+ and two equivalent Ge2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Ge2+ atom.

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36 MATERIALS SCIENCEcrystal structureGe-I-TlTlGeI3

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2020-07-23. Materials Data on TlGeI3 by Materials Project. https://doi.org/10.17188/1203655

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