CaMoN3 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form CaN6 octahedra that share corners with two equivalent Ca(1)N6 octahedra, corners with two equivalent Mo(1)N5 trigonal bipyramids, edges with two equivalent Ca(1)N6 octahedra, and edges with four equivalent Mo(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. Mo(1) is bonded to two equivalent N(3) and three equivalent N(2) atoms to form MoN5 trigonal bipyramids that share corners with two equivalent Ca(1)N6 octahedra, corners with four equivalent Mo(1)N5 trigonal bipyramids, edges with four equivalent Ca(1)N6 octahedra, and edges with two equivalent Mo(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one N(1) atom. In the second N site, N(2) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form NCa2Mo3 trigonal bipyramids that share corners with four equivalent N(2)Ca2Mo3 trigonal bipyramids, corners with two equivalent N(3)Ca2Mo2 trigonal pyramids, edges with two equivalent N(2)Ca2Mo3 trigonal bipyramids, and edges with four equivalent N(3)Ca2Mo2 trigonal pyramids. In the third N site, N(3) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form distorted NCa2Mo2 trigonal pyramids that share corners with two equivalent N(2)Ca2Mo3 trigonal bipyramids, corners with four equivalent N(3)Ca2Mo2 trigonal pyramids, and edges with four equivalent N(2)Ca2Mo3 trigonal bipyramids.
CaMoN3 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent N(1), two equivalent N(2), and two equivalent N(3) atoms to form CaN6 octahedra that share corners with two equivalent Ca(1)N6 octahedra, corners with two equivalent Mo(1)N5 trigonal bipyramids, edges with two equivalent Ca(1)N6 octahedra, and edges with four equivalent Mo(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 42°. Both Ca(1)-N(1) bond lengths are 2.56 Å. Both Ca(1)-N(2) bond lengths are 2.39 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) Ca(1)-N(3) bond length. Mo(1) is bonded to two equivalent N(3) and three equivalent N(2) atoms to form MoN5 trigonal bipyramids that share corners with two equivalent Ca(1)N6 octahedra, corners with four equivalent Mo(1)N5 trigonal bipyramids, edges with four equivalent Ca(1)N6 octahedra, and edges with two equivalent Mo(1)N5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. Both Mo(1)-N(3) bond lengths are 1.96 Å. There are a spread of Mo(1)-N(2) bond distances ranging from 1.94-2.24 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one N(1) atom. The N(1)-N(1) bond length is 1.19 Å. In the second N site, N(2) is bonded to two equivalent Ca(1) and three equivalent Mo(1) atoms to form NCa2Mo3 trigonal bipyramids that share corners with four equivalent N(2)Ca2Mo3 trigonal bipyramids, corners with two equivalent N(3)Ca2Mo2 trigonal pyramids, edges with two equivalent N(2)Ca2Mo3 trigonal bipyramids, and edges with four equivalent N(3)Ca2Mo2 trigonal pyramids. In the third N site, N(3) is bonded to two equivalent Ca(1) and two equivalent Mo(1) atoms to form distorted NCa2Mo2 trigonal pyramids that share corners with two equivalent N(2)Ca2Mo3 trigonal bipyramids, corners with four equivalent N(3)Ca2Mo2 trigonal pyramids, and edges with four equivalent N(2)Ca2Mo3 trigonal bipyramids.