Ca3(WN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. W(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing WN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent W(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing NCa4W2 pentagonal pyramids.
Ca3(WN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to two equivalent N(2) and four equivalent N(1) atoms. Both Ca(1)-N(2) bond lengths are 2.61 Å. There are a spread of Ca(1)-N(1) bond distances ranging from 2.53-2.99 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to two equivalent N(1) and four equivalent N(2) atoms. Both Ca(2)-N(1) bond lengths are 2.78 Å. There are two shorter (2.53 Å) and two longer (2.56 Å) Ca(2)-N(2) bond lengths. W(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing WN4 tetrahedra. There is one shorter (2.05 Å) and one longer (2.10 Å) W(1)-N(1) bond length. There is one shorter (1.96 Å) and one longer (2.03 Å) W(1)-N(2) bond length. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Ca(2), four equivalent Ca(1), and two equivalent W(1) atoms. In the second N site, N(2) is bonded to two equivalent Ca(1), two equivalent Ca(2), and two equivalent W(1) atoms to form a mixture of distorted corner and edge-sharing NCa4W2 pentagonal pyramids.