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DOE OSTI2020

Materials Data on AlAgO3 by Materials Project

AlAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one aluminium molecule and one AgO3 framework. In the AgO3 framework, Ag3+ is bonded to six equivalent O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.00 Å. O2- is bonded in a linear geometry to two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAgO3 by Materials Project

AgAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag3+ is bonded to five O2- atoms to form corner-sharing AgO5 trigonal bipyramids. There are three shorter (1.97 Å) and two longer (2.11 Å) Ag–O bond lengths. Al3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Al–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ag3+ atoms. In the second O2- site, O2- is bonded to one Ag3+ and three equivalent Al3+ atoms to form a mixture of edge and corner-sharing OAl3Ag tetrahedra.

36 MATERIALS SCIENCE↗