NaC4N3 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third C site, C(3) is bonded in a distorted linear geometry to one C(2) and one N(2) atom. In the fourth C site, C(4) is bonded in a linear geometry to one C(2) and one N(1) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Na(1) and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one C(3) atom. In the third N site, N(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom.
NaC4N3 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one N(1), two equivalent N(2), and three equivalent N(3) atoms to form edge-sharing NaN6 octahedra. The Na(1)-N(1) bond length is 2.41 Å. There is one shorter (2.50 Å) and one longer (2.61 Å) Na(1)-N(2) bond length. There are a spread of Na(1)-N(3) bond distances ranging from 2.55-2.69 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(3) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-N(3) bond length is 1.18 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. The C(2)-C(3) bond length is 1.40 Å. The C(2)-C(4) bond length is 1.41 Å. In the third C site, C(3) is bonded in a distorted linear geometry to one C(2) and one N(2) atom. The C(3)-N(2) bond length is 1.18 Å. In the fourth C site, C(4) is bonded in a linear geometry to one C(2) and one N(1) atom. The C(4)-N(1) bond length is 1.17 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Na(1) and one C(4) atom. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Na(1) and one C(3) atom. In the third N site, N(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na(1) and one C(1) atom.