Materials Data on AgSbH2C2(NF3)2 by Materials Project

Abstract

AgC2SbH2(NF3)2 crystallizes in the orthorhombic Pnnm space group. The structure is two-dimensional and consists of two AgC2SbH2(NF3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to two equivalent N3- and four equivalent F1- atoms to form AgN2F4 octahedra that share corners with four equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Ag–N bond lengths are 2.09 Å. All Ag–F bond lengths are 2.82 Å. C3+ is bonded in a linear geometry to one N3- and one H1+ atom. The C–N bond length is 1.16 Å. The C–H bond length is 1.08 Å. Sb3+ is bonded to six F1- atoms to form SbF6 octahedra that share corners with four equivalent AgN2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. All Sb–F bond lengths are 1.93 Å. N3- is bonded in a linear geometry to one Ag1+ and one C3+ atom. H1+ is bonded in a single-bond geometry to one C3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ag1+ and one Sb3+ atom.