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Materials Data on MnAgO2 by Materials Project

AgMnO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. All Mn–O bond lengths are 2.07 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Mn3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OMn3Ag tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnAgO2 by Materials Project

AgMnO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.29 Å) Mn–O bond lengths. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Mn3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OMn3Ag tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnAgO2 by Materials Project

AgMnO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. All Mn–O bond lengths are 2.07 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Mn3+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing OMn3Ag tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on MnAgO4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on MnAgO3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on Mn(AgO2)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

Materials Data on MnAgO4 by Materials Project

AgMnO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn7+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with six equivalent AgO6 octahedra. The corner-sharing octahedra tilt angles range from 36–61°. There is two shorter (1.63 Å) and two longer (1.64 Å) Mn–O bond length. Ag1+ is bonded to six O2- atoms to form distorted AgO6 octahedra that share corners with six equivalent MnO4 tetrahedra and edges with two equivalent AgO6 octahedra. There are a spread of Ag–O bond distances ranging from 2.19–2.63 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Mn7+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one Ag1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mn7+ and two equivalent Ag1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn7+ and one Ag1+ atom.

36 MATERIALS SCIENCE↗