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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaBr2 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaBr3 by Materials Project

GaBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two GaBr3 clusters. Ga3+ is bonded to four Br1- atoms to form edge-sharing GaBr4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.50 Å) Ga–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaBr2 by Materials Project

GaBr2 crystallizes in the trigonal R3c space group. The structure is one-dimensional and consists of nine GaBr2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ga2+ sites. In the first Ga2+ site, Ga2+ is bonded in a 2-coordinate geometry to three Br1- atoms. There are a spread of Ga–Br bond distances ranging from 3.20–3.33 Å. In the second Ga2+ site, Ga2+ is bonded in a tetrahedral geometry to four Br1- atoms. There are a spread of Ga–Br bond distances ranging from 2.36–2.38 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ga2+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to two Ga2+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted single-bond geometry to two Ga2+ atoms.

36 MATERIALS SCIENCE↗