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DOE OSTI2020

Materials Data on Ag2MoO4 by Materials Project

Ag2MoO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mo6+ is bonded to four equivalent O2- atoms to form MoO4 tetrahedra that share corners with twelve equivalent AgO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Mo–O bond lengths are 1.81 Å. Ag1+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent MoO4 tetrahedra and edges with six equivalent AgO6 octahedra. All Ag–O bond lengths are 2.51 Å. O2- is bonded in a 4-coordinate geometry to one Mo6+ and three equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgMoO4 by Materials Project

MoAgO4 is Zircon-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.49 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.43 Å) and four longer (2.49 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Mo6+ and two Ag2+ atoms.

36 MATERIALS SCIENCE↗