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DOE OSTI2020

Materials Data on LiAg3 by Materials Project

LiAg3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ag atoms to form a mixture of face, edge, and corner-sharing LiAg12 cuboctahedra. There are four shorter (2.90 Å) and eight longer (2.91 Å) Li–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing AgLi4 cuboctahedra. In the second Ag site, Ag is bonded in a distorted square co-planar geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LiAg3 by Materials Project

LiAg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent Ag atoms to form a mixture of face and corner-sharing LiAg12 cuboctahedra. All Li–Ag bond lengths are 2.90 Å. Ag is bonded in a distorted square co-planar geometry to four equivalent Li atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

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↗