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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnAgF3 by Materials Project

AgZnF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag1+ is bonded to twelve equivalent F1- atoms to form AgF12 cuboctahedra that share corners with twelve equivalent AgF12 cuboctahedra, faces with six equivalent AgF12 cuboctahedra, and faces with eight equivalent ZnF6 octahedra. All Ag–F bond lengths are 2.88 Å. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with six equivalent ZnF6 octahedra and faces with eight equivalent AgF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Zn–F bond lengths are 2.04 Å. F1- is bonded in a distorted linear geometry to four equivalent Ag1+ and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnAgF3 by Materials Project

AgZnF3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded to six equivalent F1- atoms to form distorted AgF6 octahedra that share corners with nine equivalent ZnF6 octahedra, edges with three equivalent AgF6 octahedra, and a faceface with one ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.44 Å) and three longer (2.62 Å) Ag–F bond lengths. Zn2+ is bonded to six equivalent F1- atoms to form ZnF6 octahedra that share corners with nine equivalent AgF6 octahedra, edges with three equivalent ZnF6 octahedra, and a faceface with one AgF6 octahedra. The corner-sharing octahedra tilt angles range from 38–60°. There are three shorter (2.05 Å) and three longer (2.11 Å) Zn–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗