Ca11(RuN5)2 is Krennerite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(4) and four equivalent N(3) atoms to form edge-sharing CaN6 octahedra. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. In the third Ca site, Ca(3) is bonded in a distorted water-like geometry to two equivalent Ru(1), two equivalent N(1), and two equivalent N(2) atoms. In the fourth Ca site, Ca(4) is bonded in a 3-coordinate geometry to three equivalent N(2) atoms. Ru(1) is bonded in a distorted single-bond geometry to two equivalent Ca(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one N(1) atom to form distorted NCa4N square pyramids that share corners with four equivalent N(2)Ca6 octahedra, corners with four equivalent N(3)Ca4N square pyramids, edges with four equivalent N(4)Ca5Ru octahedra, and  an edgeedge with one N(3)Ca4N square pyramid. The corner-sharing octahedral tilt angles are 69°. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Ru(1) atom to form distorted NCa5Ru octahedra that share  a cornercorner with one N(4)Ca5Ru octahedra, corners with four equivalent N(2)Ca6 octahedra, edges with two equivalent N(4)Ca5Ru octahedra, edges with two equivalent N(2)Ca6 octahedra, and edges with four equivalent N(3)Ca4N square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one N(3) atom. In the fourth N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and three equivalent Ca(4) atoms to form distorted NCa6 octahedra that share corners with two equivalent N(4)Ca5Ru octahedra, corners with five equivalent N(2)Ca6 octahedra, corners with two equivalent N(3)Ca4N square pyramids,  an edgeedge with one N(4)Ca5Ru octahedra, and edges with two equivalent N(2)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 12-51°.
Ca11(RuN5)2 is Krennerite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(4) and four equivalent N(3) atoms to form edge-sharing CaN6 octahedra. Both Ca(1)-N(4) bond lengths are 2.35 Å. All Ca(1)-N(3) bond lengths are 2.40 Å. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to one N(1), one N(3), two equivalent N(2), and two equivalent N(4) atoms. The Ca(2)-N(1) bond length is 2.59 Å. The Ca(2)-N(3) bond length is 2.56 Å. Both Ca(2)-N(2) bond lengths are 2.46 Å. Both Ca(2)-N(4) bond lengths are 2.82 Å. In the third Ca site, Ca(3) is bonded in a distorted water-like geometry to two equivalent Ru(1), two equivalent N(1), and two equivalent N(2) atoms. Both Ca(3)-Ru(1) bond lengths are 2.99 Å. Both Ca(3)-N(1) bond lengths are 2.29 Å. Both Ca(3)-N(2) bond lengths are 3.05 Å. In the fourth Ca site, Ca(4) is bonded in a 3-coordinate geometry to three equivalent N(2) atoms. There are two shorter (2.41 Å) and one longer (2.48 Å) Ca(4)-N(2) bond length. Ru(1) is bonded in a distorted single-bond geometry to two equivalent Ca(3) and one N(4) atom. The Ru(1)-N(4) bond length is 1.74 Å. There are four inequivalent N sites. In the first N site, N(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), and one N(1) atom to form distorted NCa4N square pyramids that share corners with four equivalent N(2)Ca6 octahedra, corners with four equivalent N(3)Ca4N square pyramids, edges with four equivalent N(4)Ca5Ru octahedra, and  an edgeedge with one N(3)Ca4N square pyramid. The corner-sharing octahedral tilt angles are 69°. The N(3)-N(1) bond length is 1.27 Å. In the second N site, N(4) is bonded to one Ca(1), four equivalent Ca(2), and one Ru(1) atom to form distorted NCa5Ru octahedra that share  a cornercorner with one N(4)Ca5Ru octahedra, corners with four equivalent N(2)Ca6 octahedra, edges with two equivalent N(4)Ca5Ru octahedra, edges with two equivalent N(2)Ca6 octahedra, and edges with four equivalent N(3)Ca4N square pyramids. The corner-sharing octahedral tilt angles range from 0-12°. In the third N site, N(1) is bonded in a 5-coordinate geometry to two equivalent Ca(2), two equivalent Ca(3), and one N(3) atom. In the fourth N site, N(2) is bonded to one Ca(3), two equivalent Ca(2), and three equivalent Ca(4) atoms to form distorted NCa6 octahedra that share corners with two equivalent N(4)Ca5Ru octahedra, corners with five equivalent N(2)Ca6 octahedra, corners with two equivalent N(3)Ca4N square pyramids,  an edgeedge with one N(4)Ca5Ru octahedra, and edges with two equivalent N(2)Ca6 octahedra. The corner-sharing octahedral tilt angles range from 12-51°.