Ca7(ZnN3)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a linear geometry to two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. In the third Ca site, Ca(3) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(2), three equivalent Ca(3), and one Zn(1) atom. In the second N site, N(2) is bonded to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one Zn(1) atom to form a mixture of edge and corner-sharing NCa5Zn octahedra. The corner-sharing octahedra are not tilted.
Ca7(ZnN3)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a linear geometry to two equivalent N(2) atoms. Both Ca(1)-N(2) bond lengths are 2.31 Å. In the second Ca site, Ca(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(2) atoms. Both Ca(2)-N(1) bond lengths are 2.63 Å. Both Ca(2)-N(2) bond lengths are 2.41 Å. In the third Ca site, Ca(3) is bonded to one N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. The Ca(3)-N(2) bond length is 2.39 Å. There are a spread of Ca(3)-N(1) bond distances ranging from 2.38-2.48 Å. Zn(1) is bonded in a distorted trigonal non-coplanar geometry to one N(2) and two equivalent N(1) atoms. The Zn(1)-N(2) bond length is 2.12 Å. Both Zn(1)-N(1) bond lengths are 2.01 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to one Ca(2), three equivalent Ca(3), and one Zn(1) atom. In the second N site, N(2) is bonded to one Ca(1), two equivalent Ca(2), two equivalent Ca(3), and one Zn(1) atom to form a mixture of edge and corner-sharing NCa5Zn octahedra. The corner-sharing octahedra are not tilted.