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Materials Data on BaAg5 by Materials Project

BaAg5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Ag atoms. There are six shorter (3.46 Å) and twelve longer (3.77 Å) Ba–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Ag atoms. All Ag–Ag bond lengths are 2.87 Å. In the second Ag site, Ag is bonded to four equivalent Ba and eight Ag atoms to form a mixture of edge, face, and corner-sharing AgBa4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗