Materials Data on Li3As by Materials Project
Li3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Li–As bond lengths are 2.53 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.62 Å) and three longer (2.84 Å) Li–As bond lengths. As3- is bonded in a 5-coordinate geometry to eleven Li1+ atoms.
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