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DOE OSTI · 1707309

Materials Data on AlBr3N by Materials Project

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Abstract

AlNBr3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of sixteen AlNBr3 clusters. Al is bonded in a trigonal pyramidal geometry to one N and three Br atoms. The Al–N bond length is 2.02 Å. There are one shorter (2.27 Å) and two longer (2.29 Å) Al–Br bond lengths. N is bonded in a single-bond geometry to one Al atom. There are three inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one Al atom. In the second Br site, Br is bonded in a single-bond geometry to one Al atom. In the third Br site, Br is bonded in a single-bond geometry to one Al atom.

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36 MATERIALS SCIENCEAl-Br-NAlBr3Ncrystal structure

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2020-04-30. Materials Data on AlBr3N by Materials Project. https://doi.org/10.17188/1707309

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