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DOE OSTI2020

Materials Data on LaAgO3 by Materials Project

LaAgO3 is Marcasite-derived structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. La3+ is bonded in a 3-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.37 Å) and three longer (2.73 Å) La–O bond lengths. Ag3+ is bonded to six equivalent O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Ag–O bond lengths are 2.15 Å. O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on LaAgO3 by Materials Project

LaAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AgO6 octahedra. All La–O bond lengths are 2.91 Å. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗