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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAc3 by Materials Project

LiAc3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Ac atoms to form LiAc12 cuboctahedra that share corners with twelve equivalent LiAc12 cuboctahedra, edges with twenty-four equivalent AcLi4Ac8 cuboctahedra, faces with six equivalent LiAc12 cuboctahedra, and faces with twelve equivalent AcLi4Ac8 cuboctahedra. All Li–Ac bond lengths are 3.85 Å. Ac is bonded to four equivalent Li and eight equivalent Ac atoms to form AcLi4Ac8 cuboctahedra that share corners with twelve equivalent AcLi4Ac8 cuboctahedra, edges with eight equivalent LiAc12 cuboctahedra, edges with sixteen equivalent AcLi4Ac8 cuboctahedra, faces with four equivalent LiAc12 cuboctahedra, and faces with fourteen equivalent AcLi4Ac8 cuboctahedra. All Ac–Ac bond lengths are 3.85 Å.

36 MATERIALS SCIENCE↗