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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgCNO by Materials Project

AgNCO crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of two AgNCO sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent C4+ and two equivalent O2- atoms. Both Ag–C bond lengths are 2.21 Å. Both Ag–O bond lengths are 2.57 Å. C4+ is bonded in a distorted trigonal planar geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.25 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgCN3O2 by Materials Project

AgCN3O2 crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of two AgCN3O2 sheets oriented in the (0, 1, 0) direction. Ag1+ is bonded in a 7-coordinate geometry to two N+0.33- and one O2- atom. There are one shorter (2.16 Å) and one longer (2.24 Å) Ag–N bond lengths. The Ag–O bond length is 2.58 Å. C4+ is bonded in a linear geometry to two N+0.33- atoms. There is one shorter (1.17 Å) and one longer (1.31 Å) C–N bond length. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Ag1+ and one C4+ atom. In the second N+0.33- site, N+0.33- is bonded in a 3-coordinate geometry to one Ag1+, one C4+, and one N+0.33- atom. The N–N bond length is 1.38 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one N+0.33- and two O2- atoms. Both N–O bond lengths are 1.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N+0.33- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ag1+ and one N+0.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgCNO by Materials Project

AgNCO crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two CO ribbons oriented in the (0, 0, 1) direction and two NAg ribbons oriented in the (0, 0, 1) direction. In each CO ribbon, C4+ is bonded in a linear geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to two equivalent C4+ atoms. In each NAg ribbon, Ag1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 1.81 Å. N3- is bonded in a distorted linear geometry to two equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgCNO by Materials Project

AgNCO crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent C4+ and four equivalent O2- atoms to form a mixture of distorted face, edge, and corner-sharing AgC2O4 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Ag–C bond lengths are 2.14 Å. All Ag–O bond lengths are 3.08 Å. C4+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.23 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Ag1+ and one N3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgCNO by Materials Project

AgNCO crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one AgNCO ribbon oriented in the (0, 1, 0) direction. Ag1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 2.11 Å. C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.21 Å. The C–O bond length is 1.20 Å. N3- is bonded in a trigonal planar geometry to two equivalent Ag1+ and one C4+ atom. O2- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgCNO by Materials Project

AgNCO crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ag1+ is bonded in a 5-coordinate geometry to two equivalent C4+ and three equivalent O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–C bond lengths. There are a spread of Ag–O bond distances ranging from 2.72–3.10 Å. C4+ is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N3- atom. The C–N bond length is 1.19 Å. N3- is bonded in a linear geometry to one C4+ and one O2- atom. The N–O bond length is 1.23 Å. O2- is bonded in a 1-coordinate geometry to three equivalent Ag1+ and one N3- atom.

36 MATERIALS SCIENCE↗