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DOE OSTI · 1202506

Materials Data on GaBr2 by Materials Project

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Abstract

GaBr2 crystallizes in the orthorhombic Pnna space group. The structure is one-dimensional and consists of two GaBr2 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Ga–Br bond lengths. In the second Ga2+ site, Ga2+ is bonded in a rectangular see-saw-like geometry to four Br1- atoms. There are two shorter (3.05 Å) and two longer (3.17 Å) Ga–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two Ga2+ atoms.

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36 MATERIALS SCIENCEBr-Gacrystal structureGaBr2

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2020-07-18. Materials Data on GaBr2 by Materials Project. https://doi.org/10.17188/1202506

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