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DOE OSTI2020

Materials Data on KAg2 by Materials Project

KAg2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of K–Ag bond distances ranging from 3.47–3.58 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to six equivalent K and six equivalent Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. All Ag–Ag bond lengths are 3.03 Å. In the second Ag site, Ag is bonded to six equivalent K and six Ag atoms to form a mixture of edge, face, and corner-sharing AgK6Ag6 cuboctahedra. There are two shorter (2.93 Å) and two longer (2.98 Å) Ag–Ag bond lengths.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on K2Ag by Materials Project

K2Ag crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. K is bonded in a 11-coordinate geometry to five equivalent K and six equivalent Ag atoms. There are three shorter (3.46 Å) and two longer (3.92 Å) K–K bond lengths. All K–Ag bond lengths are 3.98 Å. Ag is bonded to twelve equivalent K atoms to form a mixture of face and edge-sharing AgK12 cuboctahedra.

36 MATERIALS SCIENCE↗