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DOE OSTI2020

Materials Data on AgBO3 by Materials Project

AgBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag3+ is bonded to twelve equivalent O2- atoms to form AgO12 cuboctahedra that share corners with twelve equivalent AgO12 cuboctahedra, faces with six equivalent AgO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Ag–O bond lengths are 2.46 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.74 Å. O2- is bonded in a distorted linear geometry to four equivalent Ag3+ and two equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AgBO3 by Materials Project

AgBO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Ag–O bond lengths are 2.21 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag3+ and one B3+ atom.

36 MATERIALS SCIENCE↗