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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgS8N9(ClO6)2 by Materials Project

(NAgN)2N2(NS2)4(N2Cl)4(SO3)8 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of four ammonia molecules, sixteen sulfur trioxide molecules, eight N2Cl clusters, four NAgN clusters, and eight NS2 clusters. In each N2Cl cluster, N+4.56+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.50 Å. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent N+4.56+ atoms. In each NAgN cluster, Ag1+ is bonded in a distorted linear geometry to two equivalent N+4.56+ atoms. Both Ag–N bond lengths are 2.07 Å. N+4.56+ is bonded in a single-bond geometry to one Ag1+ atom. In each NS2 cluster, N+4.56+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.53 Å. S2- is bonded in a distorted single-bond geometry to one N+4.56+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgS8N9(ClO6)2 by Materials Project

(NAgN)2N2(NS2)4(N2S2O6Cl)4 crystallizes in the tetragonal I-42d space group. The structure is zero-dimensional and consists of four ammonia molecules, eight N2S2O6Cl clusters, four NAgN clusters, and eight NS2 clusters. In each N2S2O6Cl cluster, N+4.56+ is bonded in a distorted bent 150 degrees geometry to one S2- and one Cl1- atom. The N–S bond length is 1.80 Å. The N–Cl bond length is 1.55 Å. S2- is bonded in a distorted tetrahedral geometry to one N+4.56+ and three O2- atoms. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent N+4.56+ atoms. In each NAgN cluster, Ag1+ is bonded in a linear geometry to two equivalent N+4.56+ atoms. Both Ag–N bond lengths are 2.09 Å. N+4.56+ is bonded in a single-bond geometry to one Ag1+ atom. In each NS2 cluster, N+4.56+ is bonded in a linear geometry to two equivalent S2- atoms. Both N–S bond lengths are 1.50 Å. S2- is bonded in a distorted single-bond geometry to one N+4.56+ atom.

36 MATERIALS SCIENCE↗