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OsN2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one OsN2 ribbon oriented in the (0, 0, 1) direction. Os6+ is bonded in a linear geometry to two equivalent N3- atoms. Both Os–N bond lengths are 1.90 Å. N3- is bonded in a linear geometry to one Os6+ and one N3- atom. The N–N bond length is 1.16 Å.
OsN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six equivalent NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two shorter (2.07 Å) and four longer (2.11 Å) Os–N bond lengths. N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen equivalent NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.41 Å.
OsN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os6+ is bonded to six N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Os–N bond distances ranging from 2.06–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 64–69°. The N–N bond length is 1.43 Å. In the second N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen NOs3N tetrahedra, and an edgeedge with one NOs3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°.
OsN2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Os6+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are two shorter (2.11 Å) and four longer (2.12 Å) Os–N bond lengths. N3- is bonded in a 4-coordinate geometry to three equivalent Os6+ and one N3- atom. The N–N bond length is 1.37 Å.
OsN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.11 Å. N3- is bonded to four equivalent Os6+ atoms to form a mixture of edge and corner-sharing NOs4 tetrahedra.
OsN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.23 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Os6+ and one N3- atom. The N–N bond length is 1.41 Å.
OsN2 is Corundum-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os6+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Os–N bond lengths are 2.13 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Os6+ and one N3- atom. The N–N bond length is 1.31 Å.