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DOE OSTI2020

Materials Data on AgNO3 by Materials Project

AgNO3 is Calcite structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.45 Å) and three longer (2.66 Å) Ag–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3N5O6 by Materials Project

Ag3N5O6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one N+1.80+ and four O2- atoms. The Ag–N bond length is 2.29 Å. There are two shorter (2.66 Å) and two longer (2.71 Å) Ag–O bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Ag–O bond distances ranging from 2.38–2.66 Å. There are four inequivalent N+1.80+ sites. In the first N+1.80+ site, N+1.80+ is bonded in a linear geometry to two N+1.80+ atoms. Both N–N bond lengths are 1.19 Å. In the second N+1.80+ site, N+1.80+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the third N+1.80+ site, N+1.80+ is bonded in a bent 120 degrees geometry to one Ag1+ and one N+1.80+ atom. In the fourth N+1.80+ site, N+1.80+ is bonded in a distorted single-bond geometry to one N+1.80+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Ag1+ and one N+1.80+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ag1+ and one N+1.80+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgNO3 by Materials Project

AgNO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ag–O bond distances ranging from 2.50–3.10 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag7NO8 by Materials Project

Ag7NO8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ag+1.57+ sites. In the first Ag+1.57+ site, Ag+1.57+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ag–O bond lengths are 2.27 Å. In the second Ag+1.57+ site, Ag+1.57+ is bonded in a 5-coordinate geometry to one N5+ and four equivalent O2- atoms. The Ag–N bond length is 2.19 Å. All Ag–O bond lengths are 2.39 Å. N5+ is bonded to six equivalent Ag+1.57+ atoms to form NAg6 octahedra that share corners with twenty-four equivalent OAg4 tetrahedra. O2- is bonded to four Ag+1.57+ atoms to form distorted OAg4 tetrahedra that share corners with three equivalent NAg6 octahedra, a cornercorner with one OAg4 tetrahedra, edges with three equivalent OAg4 tetrahedra, and faces with three equivalent OAg4 tetrahedra. The corner-sharing octahedral tilt angles are 51°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag7NO6 by Materials Project

Ag7NO6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to twelve equivalent Ag1+ atoms to form distorted AgAg12 cuboctahedra that share corners with twelve equivalent AgAg12 cuboctahedra and faces with eight OAg6 octahedra. All Ag–Ag bond lengths are 3.33 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ag1+ and four O2- atoms. There are a spread of Ag–O bond distances ranging from 2.32–2.40 Å. N5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All N–O bond lengths are 1.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to six equivalent Ag1+ atoms to form OAg6 octahedra that share corners with six equivalent OAg6 octahedra and faces with four equivalent AgAg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgNO3 by Materials Project

AgNO3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ag1+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are six shorter (2.71 Å) and three longer (2.73 Å) Ag–O bond lengths. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one N5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgNO2 by Materials Project

AgNO2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ag1+ is bonded in a 6-coordinate geometry to one N3+ and five O2- atoms. The Ag–N bond length is 2.18 Å. There are a spread of Ag–O bond distances ranging from 2.23–3.03 Å. N3+ is bonded in a trigonal planar geometry to one Ag1+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one N3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ag1+ and one N3+ atom.

36 MATERIALS SCIENCE↗