Ca7Cu(PtO6)2 crystallizes in the monoclinic C2 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. In the fifth Ca site, Ca(5) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Pt(1), and one Cu(1) atom to form distorted OCa4CuPt octahedra that share  a cornercorner with one O(2)Ca5Pt octahedra, corners with two equivalent O(4)Ca4CuPt octahedra, corners with three equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(6)Ca5Pt octahedra, corners with four equivalent O(1)Ca4CuPt octahedra,  a cornercorner with one O(5)Ca4Pt square pyramid,  an edgeedge with one O(4)Ca4CuPt octahedra,  an edgeedge with one O(3)Ca5Pt octahedra, edges with two equivalent O(2)Ca5Pt octahedra,  an edgeedge with one O(5)Ca4Pt square pyramid,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra,  a faceface with one O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 1-68°. In the second O site, O(2) is bonded to one Ca(3), one Ca(4), one Ca(5), two equivalent Ca(2), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(1)Ca4CuPt octahedra,  a cornercorner with one O(2)Ca5Pt octahedra, corners with two equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(4)Ca4CuPt octahedra, corners with five equivalent O(6)Ca5Pt octahedra, corners with three equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(4)Ca4CuPt octahedra,  an edgeedge with one O(3)Ca5Pt octahedra, edges with two equivalent O(1)Ca4CuPt octahedra,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra,  a faceface with one O(3)Ca5Pt octahedra,  a faceface with one O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 2-70°. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one Ca(5), two equivalent Ca(3), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(4)Ca4CuPt octahedra, corners with two equivalent O(2)Ca5Pt octahedra, corners with two equivalent O(6)Ca5Pt octahedra, corners with three equivalent O(1)Ca4CuPt octahedra, corners with four equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(2)Ca5Pt octahedra, edges with two equivalent O(4)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, faces with two equivalent O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 5-57°. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Pt(1), and one Cu(1) atom to form distorted OCa4CuPt octahedra that share  a cornercorner with one O(4)Ca4CuPt octahedra,  a cornercorner with one O(3)Ca5Pt octahedra, corners with two equivalent O(1)Ca4CuPt octahedra, corners with three equivalent O(2)Ca5Pt octahedra, corners with three equivalent O(6)Ca5Pt octahedra, corners with four equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(2)Ca5Pt octahedra, edges with two equivalent O(3)Ca5Pt octahedra,  an edgeedge with one O(5)Ca4Pt square pyramid,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(3)Ca5Pt octahedra, and  a faceface with one O(6)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), and one Pt(1) atom to form distorted OCa4Pt square pyramids that share  a cornercorner with one O(1)Ca4CuPt octahedra,  a cornercorner with one O(6)Ca5Pt octahedra, corners with three equivalent O(2)Ca5Pt octahedra, corners with three equivalent O(3)Ca5Pt octahedra, corners with four equivalent O(4)Ca4CuPt octahedra, corners with two equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(4)Ca4CuPt octahedra, edges with three equivalent O(6)Ca5Pt octahedra,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, and  a faceface with one O(3)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 2-68°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Ca(5), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(6)Ca5Pt octahedra, corners with two equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(1)Ca4CuPt octahedra, corners with three equivalent O(4)Ca4CuPt octahedra, corners with five equivalent O(2)Ca5Pt octahedra,  a cornercorner with one O(5)Ca4Pt square pyramid,  an edgeedge with one O(6)Ca5Pt octahedra, edges with three equivalent O(5)Ca4Pt square pyramids,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, and faces with two equivalent O(3)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 8-68°.
Ca7Cu(PtO6)2 crystallizes in the monoclinic C2 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Both Ca(1)-O(3) bond lengths are 2.54 Å. Both Ca(1)-O(4) bond lengths are 2.67 Å. Both Ca(1)-O(5) bond lengths are 2.47 Å. Both Ca(1)-O(6) bond lengths are 2.47 Å. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. The Ca(2)-O(3) bond length is 2.38 Å. The Ca(2)-O(4) bond length is 2.64 Å. The Ca(2)-O(5) bond length is 2.69 Å. The Ca(2)-O(6) bond length is 2.45 Å. There is one shorter (2.49 Å) and one longer (2.74 Å) Ca(2)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.50 Å) Ca(2)-O(2) bond length. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms. The Ca(3)-O(1) bond length is 2.40 Å. The Ca(3)-O(2) bond length is 2.50 Å. The Ca(3)-O(5) bond length is 2.38 Å. The Ca(3)-O(6) bond length is 2.72 Å. There is one shorter (2.48 Å) and one longer (2.77 Å) Ca(3)-O(3) bond length. There is one shorter (2.37 Å) and one longer (2.62 Å) Ca(3)-O(4) bond length. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Both Ca(4)-O(1) bond lengths are 2.81 Å. Both Ca(4)-O(2) bond lengths are 2.91 Å. Both Ca(4)-O(5) bond lengths are 2.28 Å. Both Ca(4)-O(6) bond lengths are 2.46 Å. In the fifth Ca site, Ca(5) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Both Ca(5)-O(2) bond lengths are 2.33 Å. Both Ca(5)-O(3) bond lengths are 2.32 Å. Both Ca(5)-O(6) bond lengths are 2.36 Å. Pt(1) is bonded in an octahedral geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Pt(1)-O(1) bond length is 2.04 Å. The Pt(1)-O(2) bond length is 2.05 Å. The Pt(1)-O(3) bond length is 2.05 Å. The Pt(1)-O(4) bond length is 2.05 Å. The Pt(1)-O(5) bond length is 2.04 Å. The Pt(1)-O(6) bond length is 2.07 Å. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. Both Cu(1)-O(1) bond lengths are 2.01 Å. Both Cu(1)-O(4) bond lengths are 2.02 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ca(3), one Ca(4), two equivalent Ca(2), one Pt(1), and one Cu(1) atom to form distorted OCa4CuPt octahedra that share  a cornercorner with one O(2)Ca5Pt octahedra, corners with two equivalent O(4)Ca4CuPt octahedra, corners with three equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(6)Ca5Pt octahedra, corners with four equivalent O(1)Ca4CuPt octahedra,  a cornercorner with one O(5)Ca4Pt square pyramid,  an edgeedge with one O(4)Ca4CuPt octahedra,  an edgeedge with one O(3)Ca5Pt octahedra, edges with two equivalent O(2)Ca5Pt octahedra,  an edgeedge with one O(5)Ca4Pt square pyramid,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra,  a faceface with one O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 1-68°. In the second O site, O(2) is bonded to one Ca(3), one Ca(4), one Ca(5), two equivalent Ca(2), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(1)Ca4CuPt octahedra,  a cornercorner with one O(2)Ca5Pt octahedra, corners with two equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(4)Ca4CuPt octahedra, corners with five equivalent O(6)Ca5Pt octahedra, corners with three equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(4)Ca4CuPt octahedra,  an edgeedge with one O(3)Ca5Pt octahedra, edges with two equivalent O(1)Ca4CuPt octahedra,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra,  a faceface with one O(3)Ca5Pt octahedra,  a faceface with one O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 2-70°. In the third O site, O(3) is bonded to one Ca(1), one Ca(2), one Ca(5), two equivalent Ca(3), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(4)Ca4CuPt octahedra, corners with two equivalent O(2)Ca5Pt octahedra, corners with two equivalent O(6)Ca5Pt octahedra, corners with three equivalent O(1)Ca4CuPt octahedra, corners with four equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(2)Ca5Pt octahedra, edges with two equivalent O(4)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, faces with two equivalent O(6)Ca5Pt octahedra, and  a faceface with one O(5)Ca4Pt square pyramid. The corner-sharing octahedral tilt angles range from 5-57°. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(2), two equivalent Ca(3), one Pt(1), and one Cu(1) atom to form distorted OCa4CuPt octahedra that share  a cornercorner with one O(4)Ca4CuPt octahedra,  a cornercorner with one O(3)Ca5Pt octahedra, corners with two equivalent O(1)Ca4CuPt octahedra, corners with three equivalent O(2)Ca5Pt octahedra, corners with three equivalent O(6)Ca5Pt octahedra, corners with four equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(2)Ca5Pt octahedra, edges with two equivalent O(3)Ca5Pt octahedra,  an edgeedge with one O(5)Ca4Pt square pyramid,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(3)Ca5Pt octahedra, and  a faceface with one O(6)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 2-70°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), and one Pt(1) atom to form distorted OCa4Pt square pyramids that share  a cornercorner with one O(1)Ca4CuPt octahedra,  a cornercorner with one O(6)Ca5Pt octahedra, corners with three equivalent O(2)Ca5Pt octahedra, corners with three equivalent O(3)Ca5Pt octahedra, corners with four equivalent O(4)Ca4CuPt octahedra, corners with two equivalent O(5)Ca4Pt square pyramids,  an edgeedge with one O(1)Ca4CuPt octahedra,  an edgeedge with one O(4)Ca4CuPt octahedra, edges with three equivalent O(6)Ca5Pt octahedra,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, and  a faceface with one O(3)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 2-68°. In the sixth O site, O(6) is bonded to one Ca(1), one Ca(2), one Ca(3), one Ca(4), one Ca(5), and one Pt(1) atom to form distorted OCa5Pt octahedra that share  a cornercorner with one O(6)Ca5Pt octahedra, corners with two equivalent O(3)Ca5Pt octahedra, corners with three equivalent O(1)Ca4CuPt octahedra, corners with three equivalent O(4)Ca4CuPt octahedra, corners with five equivalent O(2)Ca5Pt octahedra,  a cornercorner with one O(5)Ca4Pt square pyramid,  an edgeedge with one O(6)Ca5Pt octahedra, edges with three equivalent O(5)Ca4Pt square pyramids,  a faceface with one O(1)Ca4CuPt octahedra,  a faceface with one O(4)Ca4CuPt octahedra,  a faceface with one O(2)Ca5Pt octahedra, and faces with two equivalent O(3)Ca5Pt octahedra. The corner-sharing octahedral tilt angles range from 8-68°.