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DOE OSTI · 1749793

Materials Data on Tl4GeI6 by Materials Project

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Abstract

Tl4GeI6 crystallizes in the tetragonal P4/mnc 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 3.53–4.15 Å. Ge2+ is bonded in an octahedral geometry to six I1- atoms. There are two shorter (2.99 Å) and four longer (3.07 Å) Ge–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded to four equivalent Tl1+ and one Ge2+ atom to form distorted corner-sharing ITl4Ge square pyramids. In the second I1- site, I1- is bonded in a 7-coordinate geometry to six equivalent Tl1+ and one Ge2+ atom.

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36 MATERIALS SCIENCEcrystal structureGe-I-TlTl4GeI6

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2020-04-30. Materials Data on Tl4GeI6 by Materials Project. https://doi.org/10.17188/1749793

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