Materials Data on AgSbS(OF3)2 by Materials Project

Abstract

AgSbS(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to two O2- and six F1- atoms. There are one shorter (2.64 Å) and one longer (2.67 Å) Ag–O bond lengths. There are a spread of Ag–F bond distances ranging from 2.55–2.85 Å. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There is three shorter (1.92 Å) and three longer (1.93 Å) Sb–F bond length. S6+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one S6+ atom. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Ag1+ and one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one Sb3+ atom.