Materials Data on AgPtF6 by Materials Project

Abstract

PtAgF6 is Upper Bainite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Pt5+ is bonded to six F1- atoms to form PtF6 octahedra that share corners with six AgF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Pt–F bond distances ranging from 1.95–1.97 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 41–47°. There are a spread of Ag–F bond distances ranging from 2.23–2.40 Å. In the second Ag1+ site, Ag1+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent PtF6 octahedra. The corner-sharing octahedra tilt angles range from 42–46°. There are a spread of Ag–F bond distances ranging from 2.24–2.41 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pt5+ and one Ag1+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Pt5+ and one Ag1+ atom.