CaCoN2 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. In the second Ca site, Ca(2) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted bent 150 degrees geometry to one N(2) and one N(4) atom. In the second Co site, Co(2) is bonded in a distorted bent 150 degrees geometry to one N(1) and one N(3) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Co(1) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Co(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Co(1) atom.
CaCoN2 crystallizes in the orthorhombic Pna2_1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. The Ca(1)-N(1) bond length is 2.36 Å. The Ca(1)-N(2) bond length is 2.40 Å. The Ca(1)-N(3) bond length is 2.51 Å. The Ca(1)-N(4) bond length is 2.33 Å. In the second Ca site, Ca(2) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form a mixture of distorted corner and edge-sharing CaN4 trigonal pyramids. The Ca(2)-N(1) bond length is 2.45 Å. The Ca(2)-N(2) bond length is 2.36 Å. The Ca(2)-N(3) bond length is 2.36 Å. The Ca(2)-N(4) bond length is 2.43 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted bent 150 degrees geometry to one N(2) and one N(4) atom. The Co(1)-N(2) bond length is 1.63 Å. The Co(1)-N(4) bond length is 1.62 Å. In the second Co site, Co(2) is bonded in a distorted bent 150 degrees geometry to one N(1) and one N(3) atom. The Co(2)-N(1) bond length is 1.62 Å. The Co(2)-N(3) bond length is 1.60 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Co(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ca(2), and one Co(1) atom. In the third N site, N(3) is bonded in a T-shaped geometry to one Ca(1), one Ca(2), and one Co(2) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Co(1) atom.