Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. N(1) is bonded to six equivalent Ca(1) atoms to form a mixture of distorted corner, edge, and face-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°.
Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. Ca(1) is bonded to four equivalent N(1) atoms to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. There are two shorter (2.41 Å) and two longer (2.52 Å) Ca(1)-N(1) bond lengths. N(1) is bonded to six equivalent Ca(1) atoms to form a mixture of distorted corner, edge, and face-sharing NCa6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°.