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DOE OSTI · 1696055

Materials Data on Ge12As11I4 by Materials Project

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Abstract

Ge12As11(I)4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of eight hydriodic acid molecules and one Ge12As11 framework. In the Ge12As11 framework, Ge+3.08+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are one shorter (2.57 Å) and two longer (2.61 Å) Ge–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to three equivalent Ge+3.08+ and one As3- atom to form corner-sharing AsGe3As tetrahedra. The As–As bond length is 2.49 Å. In the second As3- site, As3- is bonded to four equivalent Ge+3.08+ atoms to form corner-sharing AsGe4 tetrahedra.

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36 MATERIALS SCIENCEAs-Ge-Icrystal structureGe12As11I4

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2020-04-29. Materials Data on Ge12As11I4 by Materials Project. https://doi.org/10.17188/1696055

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