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DOE OSTI2020

Materials Data on AgBrO4 by Materials Project

AgO4Br crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.37–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.67 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.67 Å. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Br5+ atom. The O–Br bond length is 1.66 Å. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ag3+ and one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a tetrahedral geometry to four O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgBrO4 by Materials Project

AgO4Br crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag3+ is bonded to seven O2- atoms to form distorted AgO7 pentagonal bipyramids that share corners with two equivalent AgO7 pentagonal bipyramids, corners with seven equivalent BrO4 tetrahedra, and edges with two equivalent AgO7 pentagonal bipyramids. There are a spread of Ag–O bond distances ranging from 2.41–2.80 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.66 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.68 Å. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ag3+ and one Br5+ atom. The O–Br bond length is 1.65 Å. Br5+ is bonded to four O2- atoms to form BrO4 tetrahedra that share corners with seven equivalent AgO7 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgBrO4 by Materials Project

AgO4Br crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ag3+ is bonded in a 4-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.54 Å) and four longer (2.81 Å) Ag–O bond lengths. O2- is bonded in a 2-coordinate geometry to two equivalent Ag3+ and one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms.

36 MATERIALS SCIENCE↗