Materials Data on Cu2N by Materials Project
Cu2N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.88 Å. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.07 Å. N3- is bonded to six Cu+1.50+ atoms to form a mixture of corner and edge-sharing NCu6 octahedra. The corner-sharing octahedral tilt angles are 0°.
36 MATERIALS SCIENCE↗