Materials Data on Ta2AgF12 by Materials Project

Abstract

Ta2AgF12 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Ta2AgF12 sheet oriented in the (0, 0, 1) direction. Ta5+ is bonded to six F1- atoms to form TaF6 octahedra that share corners with three equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ta–F bond distances ranging from 1.86–2.05 Å. Ag2+ is bonded to six F1- atoms to form AgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedra tilt angles range from 32–37°. There are a spread of Ag–F bond distances ranging from 2.14–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Ta5+ and one Ag2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ta5+ and one Ag2+ atom. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ta5+ and one Ag2+ atom.