Results for “Ag-Ba-Ge” | Engineering Papers

DOE OSTI2020

Materials Data on Ba(AgGe)2 by Materials Project

Ba(AgGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Ba–Ag bond lengths are 3.59 Å. All Ba–Ge bond lengths are 3.54 Å. Ag is bonded in a 12-coordinate geometry to four equivalent Ba and four equivalent Ge atoms. All Ag–Ge bond lengths are 2.75 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.56 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ba4Ag3Ge20 by Materials Project

Ba4Ag3Ge20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 12-coordinate geometry to four equivalent Ag and eight equivalent Ge atoms. All Ba–Ag bond lengths are 3.90 Å. All Ba–Ge bond lengths are 3.70 Å. In the second Ba site, Ba is bonded in a 8-coordinate geometry to twenty Ge atoms. There are eight shorter (3.49 Å) and twelve longer (3.62 Å) Ba–Ge bond lengths. Ag is bonded to four equivalent Ba and four equivalent Ge atoms to form a mixture of distorted edge and corner-sharing AgBa4Ge4 tetrahedra. All Ag–Ge bond lengths are 2.59 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 7-coordinate geometry to three Ba, one Ag, and three Ge atoms. There are one shorter (2.54 Å) and two longer (2.55 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Ba and four Ge atoms. The Ge–Ge bond length is 2.56 Å.

36 MATERIALS SCIENCE↗