Materials Data on AgH12C4Se5N by Materials Project

Abstract

AgSe5N(CH3)4 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four tetramethylammonium molecules and two AgSe5 ribbons oriented in the (0, 0, 1) direction. In each AgSe5 ribbon, Ag1+ is bonded to four Se2- atoms to form corner-sharing AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.62–2.79 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a water-like geometry to two Se2- atoms. The Se–Se bond length is 2.38 Å. In the third Se2- site, Se2- is bonded in a water-like geometry to two Se2- atoms. The Se–Se bond length is 2.38 Å. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and two Se2- atoms. The Se–Se bond length is 2.37 Å. In the fifth Se2- site, Se2- is bonded in a distorted water-like geometry to one Ag1+ and one Se2- atom.