Materials Data on Mg2BBrN2 by Materials Project
Mg2BN2Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to three equivalent N3- and two equivalent Br1- atoms. There are a spread of Mg–N bond distances ranging from 2.09–2.12 Å. There are one shorter (2.74 Å) and one longer (3.05 Å) Mg–Br bond lengths. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Mg2+ and one B3+ atom to form a mixture of edge and corner-sharing NMg3B tetrahedra. Br1- is bonded in a 2-coordinate geometry to four equivalent Mg2+ atoms.
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