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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BaAg2 by Materials Project

BaAg2 is hexagonal omega structure structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded to twelve equivalent Ag atoms to form a mixture of edge and face-sharing BaAg12 cuboctahedra. There are a spread of Ba–Ag bond distances ranging from 3.58–3.60 Å. Ag is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Ag atoms. All Ag–Ag bond lengths are 2.85 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAg2(HgO2)2 by Materials Project

BaAg2(HgO2)2 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.92 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. Hg2+ is bonded in a distorted linear geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.90 Å) Hg–O bond lengths. O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ag1+, and two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaAg2 by Materials Project

BaAg2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve equivalent Ag atoms. There are a spread of Ba–Ag bond distances ranging from 3.47–3.72 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.92–3.25 Å.

36 MATERIALS SCIENCE↗