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DOE OSTI2020

Materials Data on AgF3 by Materials Project

AgF3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. Ag3+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 39–54°. There are a spread of Ag–F bond distances ranging from 1.96–2.40 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Ag3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MnAgF3 by Materials Project

MnAgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one manganese molecule and one AgF3 framework. In the AgF3 framework, Ag1+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.20 Å. F1- is bonded in a linear geometry to two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CoAgF3 by Materials Project

AgCoF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one cobalt molecule and one AgF3 framework. In the AgF3 framework, Ag1+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.19 Å. F1- is bonded in a linear geometry to two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on MgAgF3 by Materials Project

AgMgF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one magnesium molecule and one AgF3 framework. In the AgF3 framework, Ag1+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.20 Å. F1- is bonded in a linear geometry to two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NiAgF3 by Materials Project

AgNiF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one raney alloy molecule and one AgF3 framework. In the AgF3 framework, Ag1+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.17 Å. F1- is bonded in a linear geometry to two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗