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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ag3S(NO)3 by Materials Project

Ag3S(NO)3 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two Ag3S(NO)3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two N+1.67+ atoms. There are one shorter (2.01 Å) and one longer (2.17 Å) Ag–N bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted linear geometry to two N+1.67+ atoms. There are one shorter (2.15 Å) and one longer (2.19 Å) Ag–N bond lengths. There are three inequivalent N+1.67+ sites. In the first N+1.67+ site, N+1.67+ is bonded to three Ag1+ and one S2- atom to form distorted corner-sharing NAg3S tetrahedra. The N–S bond length is 1.60 Å. In the second N+1.67+ site, N+1.67+ is bonded to two equivalent Ag1+, one S2-, and one O2- atom to form distorted corner-sharing NAg2SO tetrahedra. The N–S bond length is 1.92 Å. The N–O bond length is 1.24 Å. In the third N+1.67+ site, N+1.67+ is bonded in a single-bond geometry to one Ag1+ atom. S2- is bonded in a distorted tetrahedral geometry to two N+1.67+ and two equivalent O2- atoms. Both S–O bond lengths are 1.45 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+1.67+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3S by Materials Project

Ag2SAg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Ag sites. In the first Ag site, Ag is bonded to eight Ag and four equivalent S atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent SAg12 cuboctahedra, corners with fourteen AgAg8S4 cuboctahedra, edges with six equivalent SAg12 cuboctahedra, edges with twelve AgAg8S4 cuboctahedra, faces with four equivalent SAg12 cuboctahedra, and faces with sixteen AgAg8S4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.89–3.02 Å. There are two shorter (2.91 Å) and two longer (2.99 Å) Ag–S bond lengths. In the second Ag site, Ag is bonded to eight Ag and four equivalent S atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent SAg12 cuboctahedra, corners with fourteen AgAg8S4 cuboctahedra, edges with six equivalent SAg12 cuboctahedra, edges with twelve AgAg8S4 cuboctahedra, faces with four equivalent SAg12 cuboctahedra, and faces with sixteen AgAg8S4 cuboctahedra. Both Ag–Ag bond lengths are 2.89 Å. There are two shorter (2.91 Å) and two longer (2.99 Å) Ag–S bond lengths. In the third Ag site, Ag is bonded to eight Ag and four equivalent S atoms to form distorted AgAg8S4 cuboctahedra that share corners with four equivalent SAg12 cuboctahedra, corners with fourteen AgAg8S4 cuboctahedra, edges with six equivalent SAg12 cuboctahedra, edges with twelve AgAg8S4 cuboctahedra, faces with four equivalent SAg12 cuboctahedra, and faces with sixteen AgAg8S4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.89–3.02 Å. There are two shorter (2.91 Å) and two longer (2.99 Å) Ag–S bond lengths. S is bonded to twelve Ag atoms to form SAg12 cuboctahedra that share corners with six equivalent SAg12 cuboctahedra, corners with twelve AgAg8S4 cuboctahedra, edges with eighteen AgAg8S4 cuboctahedra, faces with eight equivalent SAg12 cuboctahedra, and faces with twelve AgAg8S4 cuboctahedra.

36 MATERIALS SCIENCE↗