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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AsS4N3 by Materials Project

N2NSAs(S)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitrogen molecules; four NSAs clusters; and two S ribbons oriented in the (0, 1, 0) direction. In each NSAs cluster, As5+ is bonded in a distorted single-bond geometry to one N1+ atom. The As–N bond length is 1.68 Å. N1+ is bonded in a distorted linear geometry to one As5+ and one S2- atom. The N–S bond length is 1.55 Å. S2- is bonded in a single-bond geometry to one N1+ atom. In each S ribbon, there are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent S2- atoms. Both S–S bond lengths are 2.04 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS4N3 by Materials Project

NSAsN2S3 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four N2S3 clusters and four NSAs clusters. In each N2S3 cluster, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. In the second N1+ site, N1+ is bonded in a bent 120 degrees geometry to two S2- atoms. There is one shorter (1.60 Å) and one longer (1.64 Å) N–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two N1+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In the third S2- site, S2- is bonded in a single-bond geometry to one N1+ atom. In each NSAs cluster, As5+ is bonded in a 1-coordinate geometry to one S2- atom. The As–S bond length is 2.34 Å. N1+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.63 Å. S2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsS4N3 by Materials Project

N2(SSAs)2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonia molecules, four NS clusters, and four SSAs clusters. In each NS cluster, N1+ is bonded in an L-shaped geometry to two S2- atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two equivalent N1+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two equivalent N1+ atoms. In each SSAs cluster, As5+ is bonded in a 3-coordinate geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.31 Å. S2- is bonded in a 1-coordinate geometry to one As5+ and one S2- atom. The S–S bond length is 2.06 Å.

36 MATERIALS SCIENCE↗