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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LiLa3 by Materials Project

LiLa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent La atoms to form LiLa12 cuboctahedra that share corners with six equivalent LiLa12 cuboctahedra, corners with twelve equivalent LaLi4La8 cuboctahedra, edges with eighteen equivalent LaLi4La8 cuboctahedra, faces with eight equivalent LiLa12 cuboctahedra, and faces with twelve equivalent LaLi4La8 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.69 Å) Li–La bond lengths. La is bonded to four equivalent Li and eight equivalent La atoms to form distorted LaLi4La8 cuboctahedra that share corners with four equivalent LiLa12 cuboctahedra, corners with fourteen equivalent LaLi4La8 cuboctahedra, edges with six equivalent LiLa12 cuboctahedra, edges with twelve equivalent LaLi4La8 cuboctahedra, faces with four equivalent LiLa12 cuboctahedra, and faces with sixteen equivalent LaLi4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.50–3.87 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiLa3 by Materials Project

LiLa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent La atoms to form LiLa12 cuboctahedra that share corners with twelve equivalent LiLa12 cuboctahedra, edges with twenty-four equivalent LaLi4La8 cuboctahedra, faces with six equivalent LiLa12 cuboctahedra, and faces with twelve equivalent LaLi4La8 cuboctahedra. All Li–La bond lengths are 3.62 Å. La is bonded to four equivalent Li and eight equivalent La atoms to form LaLi4La8 cuboctahedra that share corners with twelve equivalent LaLi4La8 cuboctahedra, edges with eight equivalent LiLa12 cuboctahedra, edges with sixteen equivalent LaLi4La8 cuboctahedra, faces with four equivalent LiLa12 cuboctahedra, and faces with fourteen equivalent LaLi4La8 cuboctahedra. All La–La bond lengths are 3.62 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3La by Materials Project

Li3La 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 distorted body-centered cubic geometry to four equivalent Li and four equivalent La atoms. All Li–Li bond lengths are 3.22 Å. All Li–La bond lengths are 3.22 Å. In the second Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent La atoms. All Li–La bond lengths are 3.72 Å. La is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.

36 MATERIALS SCIENCE↗