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Materials Data on AlAgO2 by Materials Project

AgAlO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four O2- atoms to form distorted AgO4 tetrahedra that share corners with four equivalent AgO4 tetrahedra and corners with eight equivalent AlO4 tetrahedra. There are a spread of Ag–O bond distances ranging from 2.38–2.54 Å. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and corners with eight equivalent AgO4 tetrahedra. There is one shorter (1.77 Å) and three longer (1.78 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AlAgO2 by Materials Project

AgAlO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. Al3+ is bonded to six equivalent O2- atoms to form edge-sharing AlO6 octahedra. All Al–O bond lengths are 1.94 Å. O2- is bonded to one Ag1+ and three equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl3Ag tetrahedra.

36 MATERIALS SCIENCE↗

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↗

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↗

Materials Data on AlAgO3 by Materials Project

AgAlO3 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 AlO6 octahedra. All Ag–O bond lengths are 2.65 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent AgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Ag3+ and two equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗