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DOE OSTI2020

Materials Data on GaBO3 by Materials Project

GaBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga3+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Ga–O bond lengths are 2.38 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 GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.68 Å. O2- is bonded in a distorted linear geometry to four equivalent Ga3+ and two equivalent B3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on GaBO3 by Materials Project

GaBO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ga–O bond lengths are 2.02 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 Ga3+ and one B3+ atom.

36 MATERIALS SCIENCE↗