SEARCH · Search NASA
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
ZrN2 is Calaverite structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one ZrN2 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six equivalent N2- atoms to form distorted edge-sharing ZrN6 octahedra. All Zr–N bond lengths are 2.19 Å. N2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zr4+ atoms.
ZrN2 is Fluorite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a body-centered cubic geometry to eight N2- atoms. All Zr–N bond lengths are 2.28 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded to four equivalent Zr4+ atoms to form a mixture of edge and corner-sharing NZr4 tetrahedra. In the second N2- site, N2- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 tetrahedra.
ZrN2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight N2- atoms. There are a spread of Zr–N bond distances ranging from 2.17–2.52 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 2-coordinate geometry to four equivalent Zr4+ and one N2- atom. The N–N bond length is 1.47 Å. In the second N2- site, N2- is bonded in a 5-coordinate geometry to four equivalent Zr4+ and one N2- atom.