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DOE OSTI2020

Materials Data on AgCSN by Materials Project

AgSCN crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent S2- atoms. The Ag–N bond length is 2.20 Å. There are two shorter (2.60 Å) and one longer (2.80 Å) Ag–S bond lengths. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a distorted bent 150 degrees geometry to one Ag1+ and one C4+ atom. S2- is bonded to three equivalent Ag1+ and one C4+ atom to form distorted corner-sharing SAg3C trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AgCSN by Materials Project

AgSCN crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four AgSCN ribbons oriented in the (1, 0, 1) direction. Ag1+ is bonded in a 2-coordinate geometry to one N3- and one S2- atom. The Ag–N bond length is 2.11 Å. The Ag–S bond length is 2.42 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.65 Å. N3- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. S2- is bonded in a distorted water-like geometry to one Ag1+ and one C4+ atom.

36 MATERIALS SCIENCE↗