Materials Data on Na4NiAg2S8N5O12 by Materials Project

Abstract

(Na2Ag(S2O3)2)2NiN(N2)2 crystallizes in the tetragonal I4 space group. The structure is three-dimensional and consists of eight ammonia molecules, two azanylidynenickel molecules, and one Na2Ag(S2O3)2 framework. In the Na2Ag(S2O3)2 framework, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.50 Å. Ag1+ is bonded to four equivalent S1- atoms to form edge-sharing AgS4 tetrahedra. All Ag–S bond lengths are 2.52 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S1- atom. The S–S bond length is 2.14 Å. In the second S1- site, S1- is bonded in a trigonal non-coplanar geometry to one S1- and three O2- atoms. There is one shorter (1.45 Å) and two longer (1.47 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Na1+ and one S1- atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S1- atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one S1- atom.