Ca7PtN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing CaN4 trigonal pyramids. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Pt(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), three equivalent Ca(2), and one Pt(1) atom to form a mixture of face, corner, and edge-sharing NCa5Pt octahedra. The corner-sharing octahedral tilt angles range from 32-71°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Ca(2) atoms.
Ca7PtN6 crystallizes in the orthorhombic Ibam space group. There are three inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form edge-sharing CaN4 trigonal pyramids. Both Ca(1)-N(1) bond lengths are 2.58 Å. There is one shorter (2.40 Å) and one longer (2.41 Å) Ca(1)-N(2) bond length. In the second Ca site, Ca(2) is bonded in a 5-coordinate geometry to two equivalent N(2) and three equivalent N(1) atoms. There is one shorter (2.45 Å) and one longer (2.77 Å) Ca(2)-N(2) bond length. There are a spread of Ca(2)-N(1) bond distances ranging from 2.32-2.50 Å. In the third Ca site, Ca(3) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. All Ca(3)-N(1) bond lengths are 2.52 Å. Pt(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent N(1) atoms. All Pt(1)-N(1) bond lengths are 2.04 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ca(1), one Ca(3), three equivalent Ca(2), and one Pt(1) atom to form a mixture of face, corner, and edge-sharing NCa5Pt octahedra. The corner-sharing octahedral tilt angles range from 32-71°. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Ca(1) and four equivalent Ca(2) atoms.