Ca2SnN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing CaN5 square pyramids. Sn(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(2), three equivalent Ca(1), and one Sn(1) atom to form a mixture of edge and corner-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the second N site, N(2) is bonded to two equivalent Ca(1), three equivalent Ca(2), and one Sn(1) atom to form a mixture of edge and corner-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 2-57°.
Ca2SnN2 crystallizes in the orthorhombic Cmce space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(2) and three equivalent N(1) atoms to form a mixture of distorted edge and corner-sharing CaN5 trigonal bipyramids. There is one shorter (2.42 Å) and one longer (2.55 Å) Ca(1)-N(2) bond length. There are two shorter (2.58 Å) and one longer (2.70 Å) Ca(1)-N(1) bond length. In the second Ca site, Ca(2) is bonded to two equivalent N(1) and three equivalent N(2) atoms to form a mixture of distorted edge and corner-sharing CaN5 square pyramids. There is one shorter (2.42 Å) and one longer (2.53 Å) Ca(2)-N(1) bond length. There are two shorter (2.57 Å) and one longer (2.62 Å) Ca(2)-N(2) bond length. Sn(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. The Sn(1)-N(1) bond length is 2.12 Å. The Sn(1)-N(2) bond length is 2.08 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Ca(2), three equivalent Ca(1), and one Sn(1) atom to form a mixture of edge and corner-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 2-57°. In the second N site, N(2) is bonded to two equivalent Ca(1), three equivalent Ca(2), and one Sn(1) atom to form a mixture of edge and corner-sharing NCa5Sn octahedra. The corner-sharing octahedral tilt angles range from 2-57°.