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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3Sm by Materials Project

Li3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sm atoms. All Li–Li bond lengths are 3.14 Å. All Li–Sm bond lengths are 3.14 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sm atoms. All Li–Sm bond lengths are 3.63 Å. Sm is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Sm by Materials Project

Li3Sm crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a 10-coordinate geometry to six equivalent Li and four equivalent Sm atoms. There are two shorter (2.97 Å) and four longer (3.06 Å) Li–Li bond lengths. There are two shorter (3.32 Å) and two longer (3.34 Å) Li–Sm bond lengths. Sm is bonded to twelve equivalent Li atoms to form a mixture of corner and face-sharing SmLi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSm3 by Materials Project

LiSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Sm atoms to form LiSm12 cuboctahedra that share corners with twelve equivalent LiSm12 cuboctahedra, edges with twenty-four equivalent SmLi4Sm8 cuboctahedra, faces with six equivalent LiSm12 cuboctahedra, and faces with twelve equivalent SmLi4Sm8 cuboctahedra. All Li–Sm bond lengths are 3.51 Å. Sm is bonded to four equivalent Li and eight equivalent Sm atoms to form SmLi4Sm8 cuboctahedra that share corners with twelve equivalent SmLi4Sm8 cuboctahedra, edges with eight equivalent LiSm12 cuboctahedra, edges with sixteen equivalent SmLi4Sm8 cuboctahedra, faces with four equivalent LiSm12 cuboctahedra, and faces with fourteen equivalent SmLi4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.51 Å.

36 MATERIALS SCIENCE↗