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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AgN3 by Materials Project

AgN3 crystallizes in the orthorhombic Ibam space group. The structure is two-dimensional and consists of two AgN3 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded in a distorted square co-planar geometry to four equivalent N+0.33- atoms. All Ag–N bond lengths are 2.40 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgN3 by Materials Project

AgN3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ag1+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. There are four shorter (2.66 Å) and four longer (2.74 Å) Ag–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to four equivalent Ag1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3N by Materials Project

Ag3N is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing AgN4 cuboctahedra. All Ag–N bond lengths are 2.82 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four equivalent N3- atoms. All Ag–N bond lengths are 2.78 Å. N3- is bonded to twelve Ag1+ atoms to form a mixture of face, edge, and corner-sharing NAg12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgN by Materials Project

NAg is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing AgN6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Ag–N bond lengths are 2.32 Å. N3- is bonded to six equivalent Ag3+ atoms to form a mixture of distorted corner and edge-sharing NAg6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgN by Materials Project

NAg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ag3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Ag–N bond lengths are 2.49 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgN by Materials Project

NAg crystallizes in the monoclinic Pm space group. The structure is one-dimensional and consists of two NAg ribbons oriented in the (1, 0, 0) direction. Ag3+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ag–N bond lengths are 1.91 Å. N3- is bonded in a linear geometry to two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgN by Materials Project

NAg is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ag3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing AgN6 pentagonal pyramids. All Ag–N bond lengths are 2.34 Å. N3- is bonded to six equivalent Ag3+ atoms to form a mixture of distorted corner, edge, and face-sharing NAg6 pentagonal pyramids.

36 MATERIALS SCIENCE↗