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DOE OSTI2020

Materials Data on AlBr3 by Materials Project

AlBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two al2br6 molecules. Al3+ is bonded to four Br1- atoms to form edge-sharing AlBr4 tetrahedra. There are a spread of Al–Br bond distances ranging from 2.26–2.46 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Al3+ atom. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AlBr4 by Materials Project

AlBr4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Fm-3c space group. The structure is zero-dimensional and consists of twenty-four AlBr4 clusters. Al is bonded in a tetrahedral geometry to four equivalent Br atoms. All Al–Br bond lengths are 2.32 Å. Br is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗