Materials Data on LiBrN by Materials Project
LiNBr crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one LiNBr sheet oriented in the (1, 0, 0) direction. Li is bonded to one N and three equivalent Br atoms to form a mixture of edge and corner-sharing LiBr3N tetrahedra. The Li–N bond length is 2.23 Å. There are one shorter (2.50 Å) and two longer (2.53 Å) Li–Br bond lengths. N is bonded in a single-bond geometry to one Li atom. Br is bonded in a trigonal non-coplanar geometry to three equivalent Li atoms.
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