Materials Data on AgAsC4S8(N2F3)2 by Materials Project

Abstract

AgC4AsS8(N2F3)2 crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. Ag1+ is bonded in a tetrahedral geometry to four equivalent N atoms. All Ag–N bond lengths are 2.28 Å. C4+ is bonded in a distorted linear geometry to one N and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.68 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. All As–F bond lengths are 1.78 Å. N is bonded in a bent 150 degrees geometry to one Ag1+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one C4+, one S2-, and two equivalent F1- atoms. The S–S bond length is 2.12 Å. There are one shorter (3.21 Å) and one longer (3.27 Å) S–F bond lengths. In the second S2- site, S2- is bonded in a distorted water-like geometry to two S2- atoms. The S–S bond length is 2.00 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ and four equivalent S2- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.