Materials Data on MgAgF5 by Materials Project
MgAgF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mg2+ is bonded to five F1- atoms to form MgF5 trigonal bipyramids that share corners with six equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 7–62°. There are a spread of Mg–F bond distances ranging from 1.93–2.00 Å. Ag3+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with two equivalent AgF6 octahedra and corners with six equivalent MgF5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. There are a spread of Ag–F bond distances ranging from 1.96–2.40 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ag3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Mg2+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Mg2+ and one Ag3+ atom.