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DOE OSTI2020

Materials Data on InAgO2 by Materials Project

AgInO2 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 2.12 Å. In3+ is bonded to six equivalent O2- atoms to form edge-sharing InO6 octahedra. All In–O bond lengths are 2.21 Å. O2- is bonded to one Ag1+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OIn3Ag tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAgO2 by Materials Project

AgInO2 crystallizes in the trigonal R-3m 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 2.11 Å. In3+ is bonded to six equivalent O2- atoms to form edge-sharing InO6 octahedra. All In–O bond lengths are 2.21 Å. O2- is bonded to one Ag1+ and three equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn3Ag tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InAgO2 by Materials Project

AgInO2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are one shorter (2.19 Å) and three longer (2.62 Å) Ag–O bond lengths. In3+ is bonded to six O2- atoms to form edge-sharing InO6 octahedra. There are three shorter (2.18 Å) and three longer (2.26 Å) In–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ag1+ and three equivalent In3+ atoms to form distorted corner-sharing OIn3Ag tetrahedra. In the second O2- site, O2- is bonded in a 6-coordinate geometry to three equivalent Ag1+ and three equivalent In3+ atoms.

36 MATERIALS SCIENCE↗