Materials Data on AgBi2F12 by Materials Project

Abstract

AgBi2F12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AgBi2F12 sheet oriented in the (0, 0, 1) direction. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Ag–F bond distances ranging from 2.14–2.49 Å. Bi5+ is bonded to six F1- atoms to form BiF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. There are a spread of Bi–F bond distances ranging from 2.01–2.16 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one Bi5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom.