Materials Data on Ba3LiN by Materials Project
LiBa3N crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted hexagonal planar geometry to six equivalent Ba atoms. All Li–Ba bond lengths are 4.15 Å. Ba is bonded in a distorted L-shaped geometry to two equivalent Li and two equivalent N atoms. Both Ba–N bond lengths are 2.74 Å. N is bonded to six equivalent Ba atoms to form face-sharing NBa6 octahedra.
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