CaCuN crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to three equivalent Ca(1) and two equivalent Cu(1) atoms to form corner-sharing NCa3Cu2 trigonal bipyramids.
CaCuN crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. All Ca(1)-N(1) bond lengths are 2.41 Å. Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both Cu(1)-N(1) bond lengths are 1.84 Å. N(1) is bonded to three equivalent Ca(1) and two equivalent Cu(1) atoms to form corner-sharing NCa3Cu2 trigonal bipyramids.