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Materials Data on LiAg by Materials Project

LiAg is Tetraauricupride structured and crystallizes in the cubic Pm-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 2.76 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Li atoms.

36 MATERIALS SCIENCE↗

Materials Data on Li3Ag by Materials Project

Li3Ag is alpha bismuth trifluoride structured and 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 Li and four equivalent Ag atoms. All Li–Li bond lengths are 2.85 Å. All Li–Ag bond lengths are 2.85 Å. In the second Li site, Li is bonded to eight equivalent Li and four equivalent Ag atoms to form LiLi8Ag4 cuboctahedra that share corners with four equivalent LiLi8Ag4 cuboctahedra, corners with eight equivalent AgLi12 cuboctahedra, edges with eight equivalent LiLi8Ag4 cuboctahedra, faces with four equivalent LiLi8Ag4 cuboctahedra, and faces with six equivalent AgLi12 cuboctahedra. All Li–Ag bond lengths are 3.02 Å. Ag is bonded to twelve Li atoms to form AgLi12 cuboctahedra that share corners with four equivalent AgLi12 cuboctahedra, corners with eight equivalent LiLi8Ag4 cuboctahedra, edges with eight equivalent AgLi12 cuboctahedra, faces with four equivalent AgLi12 cuboctahedra, and faces with six equivalent LiLi8Ag4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Li3Ag by Materials Project

Li3Ag is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted see-saw-like geometry to four equivalent Ag atoms. There are two shorter (2.87 Å) and two longer (2.91 Å) Li–Ag bond lengths. Ag is bonded to twelve equivalent Li atoms to form a mixture of face and corner-sharing AgLi12 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on LiAg by Materials Project

LiAg crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li is bonded to eight equivalent Ag atoms to form a mixture of distorted edge, face, and corner-sharing LiAg8 cuboctahedra. There are four shorter (2.83 Å) and four longer (2.89 Å) Li–Ag bond lengths. Ag is bonded to eight equivalent Li atoms to form a mixture of distorted edge, face, and corner-sharing AgLi8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on LiAg3 by Materials Project

LiAg3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to twelve equivalent Ag atoms to form a mixture of corner and face-sharing LiAg12 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Li–Ag bond lengths. Ag is bonded in a distorted see-saw-like geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗

Materials Data on Li3Ag2 by Materials Project

Li3Ag2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Li and four equivalent Ag atoms. All Li–Li bond lengths are 2.86 Å. All Li–Ag bond lengths are 2.74 Å. In the second Li site, Li is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.79 Å) and four longer (2.80 Å) Li–Ag bond lengths. In the third Li site, Li is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Li–Ag bond lengths are 2.79 Å. In the fourth Li site, Li is bonded in a 10-coordinate geometry to eight equivalent Li and two equivalent Ag atoms. Both Li–Ag bond lengths are 3.00 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to nine Li atoms. In the second Ag site, Ag is bonded in a body-centered cubic geometry to eight Li atoms.

36 MATERIALS SCIENCE↗