Ca5CdN4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Cd(1)N4 tetrahedra. Cd(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Ca(2), four equivalent Ca(1), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles range from 63-64°.
Ca5CdN4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. There is one shorter (2.41 Å) and one longer (2.70 Å) Ca(1)-N(1) bond length. There is one shorter (2.43 Å) and one longer (2.48 Å) Ca(1)-N(2) bond length. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CaN4 tetrahedra that share corners with four equivalent Cd(1)N4 tetrahedra. Both Ca(2)-N(1) bond lengths are 2.34 Å. Both Ca(2)-N(2) bond lengths are 2.37 Å. Cd(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form CdN4 tetrahedra that share corners with four equivalent Ca(2)N4 tetrahedra. Both Cd(1)-N(1) bond lengths are 2.35 Å. Both Cd(1)-N(2) bond lengths are 2.43 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to one Ca(2), four equivalent Ca(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Ca(2), four equivalent Ca(1), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing NCa5Cd octahedra. The corner-sharing octahedral tilt angles range from 63-64°.