Cu3N crystallizes in the tetragonal P4/mmm space group. The structure consists of eight 7440-50-8 atoms and one ammonia atom inside a Cu16N7 framework. In the Cu16N7 framework, there are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. In the second Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. In the third Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. In the fourth Cu site, Cu(2) is bonded in a linear geometry to one N(5) and one N(6) atom. In the fifth Cu site, Cu(2) is bonded in a linear geometry to one N(5) and one N(6) atom. In the sixth Cu site, Cu(3) is bonded in a linear geometry to one N(1,3) and one N(6) atom. In the seventh Cu site, Cu(4) is bonded in a linear geometry to one N(1,3) and one N(6) atom. In the eighth Cu site, Cu(4) is bonded in a linear geometry to one N(1,3) and one N(6) atom. There are four inequivalent N sites. In the first N site, N(1,3) is bonded in a square co-planar geometry to four equivalent Cu(3) atoms. In the second N site, N(4) is bonded in a square co-planar geometry to four Cu(1,1,1) atoms. In the third N site, N(5) is bonded in a square co-planar geometry to two Cu(1,1) and two Cu(2,2) atoms. In the fourth N site, N(6) is bonded in an octahedral geometry to two Cu(2,2); two equivalent Cu(3); and two Cu(4,4) atoms.
Cu3N crystallizes in the tetragonal P4/mmm space group. The structure consists of eight 7440-50-8 atoms and one ammonia atom inside a Cu16N7 framework. In the Cu16N7 framework, there are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. The Cu(1)-N(4) bond length is 1.85 Å. The Cu(1)-N(5) bond length is 1.87 Å. In the second Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. The Cu(1)-N(4) bond length is 1.85 Å. The Cu(1)-N(5) bond length is 1.87 Å. In the third Cu site, Cu(1) is bonded in a linear geometry to one N(4) and one N(5) atom. The Cu(1)-N(4) bond length is 1.85 Å. The Cu(1)-N(5) bond length is 1.87 Å. In the fourth Cu site, Cu(2) is bonded in a linear geometry to one N(5) and one N(6) atom. The Cu(2)-N(5) bond length is 1.82 Å. The Cu(2)-N(6) bond length is 1.89 Å. In the fifth Cu site, Cu(2) is bonded in a linear geometry to one N(5) and one N(6) atom. The Cu(2)-N(5) bond length is 1.82 Å. The Cu(2)-N(6) bond length is 1.89 Å. In the sixth Cu site, Cu(3) is bonded in a linear geometry to one N(1,3) and one N(6) atom. The Cu(3)-N(1,3) bond length is 1.83 Å. The Cu(3)-N(6) bond length is 1.90 Å. In the seventh Cu site, Cu(4) is bonded in a linear geometry to one N(1,3) and one N(6) atom. The Cu(4)-N(1,3) bond length is 1.82 Å. The Cu(4)-N(6) bond length is 1.90 Å. In the eighth Cu site, Cu(4) is bonded in a linear geometry to one N(1,3) and one N(6) atom. The Cu(4)-N(1,3) bond length is 1.82 Å. The Cu(4)-N(6) bond length is 1.90 Å. There are four inequivalent N sites. In the first N site, N(1,3) is bonded in a square co-planar geometry to four equivalent Cu(3) atoms. In the second N site, N(4) is bonded in a square co-planar geometry to four Cu(1,1,1) atoms. In the third N site, N(5) is bonded in a square co-planar geometry to two Cu(1,1) and two Cu(2,2) atoms. In the fourth N site, N(6) is bonded in an octahedral geometry to two Cu(2,2); two equivalent Cu(3); and two Cu(4,4) atoms.