TiCoN2 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form TiN5 trigonal bipyramids that share corners with four equivalent Ti(1)N5 trigonal bipyramids, corners with four equivalent Co(1)N5 trigonal bipyramids, edges with two equivalent Ti(1)N5 trigonal bipyramids, and edges with four equivalent Co(1)N5 trigonal bipyramids. Co(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form CoN5 trigonal bipyramids that share corners with four equivalent Ti(1)N5 trigonal bipyramids, corners with four equivalent Co(1)N5 trigonal bipyramids, edges with two equivalent Co(1)N5 trigonal bipyramids, and edges with four equivalent Ti(1)N5 trigonal bipyramids. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Ti(1) and two equivalent Co(1) atoms to form NTi3Co2 trigonal bipyramids that share corners with four equivalent N(2)Ti2Co3 trigonal bipyramids, corners with four equivalent N(1)Ti3Co2 trigonal bipyramids, edges with two equivalent N(1)Ti3Co2 trigonal bipyramids, and edges with four equivalent N(2)Ti2Co3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Ti(1) and three equivalent Co(1) atoms to form NTi2Co3 trigonal bipyramids that share corners with four equivalent N(2)Ti2Co3 trigonal bipyramids, corners with four equivalent N(1)Ti3Co2 trigonal bipyramids, edges with two equivalent N(2)Ti2Co3 trigonal bipyramids, and edges with four equivalent N(1)Ti3Co2 trigonal bipyramids.
TiCoN2 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form TiN5 trigonal bipyramids that share corners with four equivalent Ti(1)N5 trigonal bipyramids, corners with four equivalent Co(1)N5 trigonal bipyramids, edges with two equivalent Ti(1)N5 trigonal bipyramids, and edges with four equivalent Co(1)N5 trigonal bipyramids. There is one shorter (1.97 Å) and one longer (1.98 Å) Ti(1)-N(2) bond length. There is one shorter (2.00 Å) and two longer (2.07 Å) Ti(1)-N(1) bond lengths. Co(1) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form CoN5 trigonal bipyramids that share corners with four equivalent Ti(1)N5 trigonal bipyramids, corners with four equivalent Co(1)N5 trigonal bipyramids, edges with two equivalent Co(1)N5 trigonal bipyramids, and edges with four equivalent Ti(1)N5 trigonal bipyramids. There is one shorter (1.90 Å) and one longer (1.94 Å) Co(1)-N(1) bond length. There is one shorter (1.99 Å) and two longer (2.08 Å) Co(1)-N(2) bond lengths. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Ti(1) and two equivalent Co(1) atoms to form NTi3Co2 trigonal bipyramids that share corners with four equivalent N(2)Ti2Co3 trigonal bipyramids, corners with four equivalent N(1)Ti3Co2 trigonal bipyramids, edges with two equivalent N(1)Ti3Co2 trigonal bipyramids, and edges with four equivalent N(2)Ti2Co3 trigonal bipyramids. In the second N site, N(2) is bonded to two equivalent Ti(1) and three equivalent Co(1) atoms to form NTi2Co3 trigonal bipyramids that share corners with four equivalent N(2)Ti2Co3 trigonal bipyramids, corners with four equivalent N(1)Ti3Co2 trigonal bipyramids, edges with two equivalent N(2)Ti2Co3 trigonal bipyramids, and edges with four equivalent N(1)Ti3Co2 trigonal bipyramids.