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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li3Ag2Ge3 by Materials Project

Li3Ag2Ge3 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to four Ag atoms to form distorted corner-sharing LiAg4 tetrahedra. All Li–Ag bond lengths are 2.79 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the fourth Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the fifth Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the second Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the third Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the fourth Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Li and four Ag atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Li and four Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAg2Ge by Materials Project

LiAg2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Li–Ag bond lengths are 2.79 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Ag–Ge bond lengths are 2.79 Å. Ge is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2AgGe by Materials Project

Li2AgGe crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Li2AgGe ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to one Ag and one Ge atom. The Li–Ag bond length is 2.58 Å. The Li–Ge bond length is 2.62 Å. Ag is bonded in a linear geometry to two equivalent Li atoms. Ge is bonded in a linear geometry to two equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2AgGe by Materials Project

Li2AgGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Ge atoms. All Li–Ag bond lengths are 2.71 Å. All Li–Ge bond lengths are 2.71 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li3Ag3Ge2 by Materials Project

Li3Ag3Ge2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six Ag and four equivalent Ge atoms to form distorted LiAg6Ge4 cuboctahedra that share corners with four equivalent AgLi8Ge4 cuboctahedra, corners with four equivalent GeLi6Ag6 cuboctahedra, corners with ten equivalent LiAg6Ge4 cuboctahedra, edges with four equivalent GeLi6Ag6 cuboctahedra, edges with five LiAg6Ge4 cuboctahedra, edges with ten AgLi4Ag4Ge4 cuboctahedra, faces with four AgLi4Ag4Ge4 cuboctahedra, faces with four equivalent GeLi6Ag6 cuboctahedra, and faces with seven LiAg6Ge4 cuboctahedra. There are a spread of Li–Ag bond distances ranging from 2.83–2.85 Å. All Li–Ge bond lengths are 2.87 Å. In the second Li site, Li is bonded to four equivalent Ag and four equivalent Ge atoms to form distorted LiAg4Ge4 cuboctahedra that share corners with four equivalent LiAg4Ge4 cuboctahedra, corners with eight equivalent GeLi6Ag6 cuboctahedra, corners with twelve AgLi4Ag4Ge4 cuboctahedra, edges with four equivalent GeLi6Ag6 cuboctahedra, edges with six AgLi4Ag4Ge4 cuboctahedra, edges with ten LiAg6Ge4 cuboctahedra, and faces with six LiAg6Ge4 cuboctahedra. All Li–Ag bond lengths are 2.87 Å. All Li–Ge bond lengths are 2.83 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Li, four equivalent Ag, and four equivalent Ge atoms to form distorted AgLi4Ag4Ge4 cuboctahedra that share corners with four equivalent LiAg4Ge4 cuboctahedra, corners with four equivalent AgLi4Ag4Ge4 cuboctahedra, edges with eight equivalent AgLi8Ge4 cuboctahedra, edges with eight equivalent GeLi6Ag6 cuboctahedra, edges with ten LiAg6Ge4 cuboctahedra, faces with four equivalent LiAg6Ge4 cuboctahedra, faces with four equivalent GeLi6Ag6 cuboctahedra, and faces with eight AgLi4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 2.87 Å. All Ag–Ge bond lengths are 2.84 Å. In the second Ag site, Ag is bonded to eight Li and four equivalent Ge atoms to form AgLi8Ge4 cuboctahedra that share corners with eight equivalent LiAg6Ge4 cuboctahedra, corners with twelve AgLi8Ge4 cuboctahedra, edges with eight LiAg6Ge4 cuboctahedra, edges with eight equivalent AgLi4Ag4Ge4 cuboctahedra, edges with eight equivalent GeLi6Ag6 cuboctahedra, faces with four equivalent GeLi6Ag6 cuboctahedra, and faces with six AgLi8Ge4 cuboctahedra. All Ag–Ge bond lengths are 2.84 Å. In the third Ag site, Ag is bonded to four equivalent Li, four equivalent Ag, and four equivalent Ge atoms to form distorted AgLi4Ag4Ge4 cuboctahedra that share corners with eight equivalent LiAg4Ge4 cuboctahedra, corners with twelve AgLi8Ge4 cuboctahedra, edges with eight equivalent LiAg6Ge4 cuboctahedra, edges with eight equivalent GeLi6Ag6 cuboctahedra, faces with four equivalent LiAg6Ge4 cuboctahedra, faces with four equivalent GeLi6Ag6 cuboctahedra, and faces with ten AgLi4Ag4Ge4 cuboctahedra. All Ag–Ge bond lengths are 2.85 Å. Ge is bonded to six Li and six Ag atoms to form GeLi6Ag6 cuboctahedra that share corners with eight LiAg6Ge4 cuboctahedra, corners with twelve equivalent GeLi6Ag6 cuboctahedra, edges with six LiAg6Ge4 cuboctahedra, edges with twelve AgLi4Ag4Ge4 cuboctahedra, faces with four equivalent LiAg6Ge4 cuboctahedra, faces with six AgLi4Ag4Ge4 cuboctahedra, and faces with six equivalent GeLi6Ag6 cuboctahedra.

36 MATERIALS SCIENCE↗