Materials Data on Li3Ac by Materials Project
Li3Ac crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Ac atoms. All Li–Ac bond lengths are 3.43 Å. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent Ac atoms. All Li–Ac bond lengths are 3.38 Å. Ac is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing AcLi12 cuboctahedra.
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