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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SbN9 by Materials Project

SbN9 is diamond structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six SbN9 clusters. Sb3+ is bonded in a 3-coordinate geometry to three equivalent N+0.33- atoms. All Sb–N bond lengths are 2.17 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a single-bond geometry to one N+0.33- atom. The N–N bond length is 1.15 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two N+0.33- atoms. The N–N bond length is 1.23 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one N+0.33- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbN by Materials Project

SbN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sb3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Sb–N bond lengths are 2.66 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbN by Materials Project

SbN is Hittorf-derived structured and crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one SbN sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Sb–N bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.11 Å) and two longer (2.12 Å) Sb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal non-coplanar geometry to three Sb3+ atoms. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to three Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SbN by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗