Ca15Ni(IrO6)4 crystallizes in the monoclinic P2 space group. There are eleven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(2) atoms. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(6), one O(8), and two equivalent O(1) atoms. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(6), and two equivalent O(8) atoms. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(11), two equivalent O(2), and two equivalent O(6) atoms. In the ninth Ca site, Ca(9) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the tenth Ca site, Ca(10) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms. In the eleventh Ca site, Ca(11) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. Ni(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(6), one Ca(7), two equivalent Ca(2), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra, and  a faceface with one O(12)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the second O site, O(2) is bonded to one Ca(5), one Ca(8), one Ca(9), two equivalent Ca(1), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(5)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(6), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(7), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra, edges with three equivalent O(9)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-69°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Ca(6), one Ca(8), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with three equivalent O(10)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(10), one Ca(3), two equivalent Ca(5), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the eighth O site, O(8) is bonded to one Ca(11), one Ca(2), one Ca(4), two equivalent Ca(6), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(10)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(11), one Ca(4), one Ca(5), one Ca(7), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(7)Ca5Ir octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with three equivalent O(5)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the tenth O site, O(10) is bonded to one Ca(10), one Ca(2), one Ca(3), one Ca(6), one Ca(8), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra, edges with three equivalent O(6)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(11), one Ca(2), one Ca(6), one Ca(8), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(10), one Ca(2), one Ca(5), one Ca(7), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-69°.
Ca15Ni(IrO6)4 crystallizes in the monoclinic P2 space group. There are eleven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(2) atoms. The Ca(1)-O(11) bond length is 2.48 Å. The Ca(1)-O(12) bond length is 2.76 Å. The Ca(1)-O(4) bond length is 2.39 Å. The Ca(1)-O(5) bond length is 2.67 Å. The Ca(1)-O(7) bond length is 2.49 Å. The Ca(1)-O(9) bond length is 2.73 Å. There is one shorter (2.38 Å) and one longer (2.48 Å) Ca(1)-O(2) bond length. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(6), one O(8), and two equivalent O(1) atoms. The Ca(2)-O(10) bond length is 2.82 Å. The Ca(2)-O(11) bond length is 2.81 Å. The Ca(2)-O(12) bond length is 2.47 Å. The Ca(2)-O(3) bond length is 2.33 Å. The Ca(2)-O(6) bond length is 2.49 Å. The Ca(2)-O(8) bond length is 2.47 Å. There is one shorter (2.34 Å) and one longer (2.65 Å) Ca(2)-O(1) bond length. In the third Ca site, Ca(3) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. Both Ca(3)-O(10) bond lengths are 2.46 Å. Both Ca(3)-O(3) bond lengths are 2.66 Å. Both Ca(3)-O(6) bond lengths are 2.37 Å. Both Ca(3)-O(7) bond lengths are 2.75 Å. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Both Ca(4)-O(4) bond lengths are 2.50 Å. Both Ca(4)-O(5) bond lengths are 2.35 Å. Both Ca(4)-O(8) bond lengths are 2.82 Å. Both Ca(4)-O(9) bond lengths are 2.49 Å. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(9), and two equivalent O(7) atoms. The Ca(5)-O(12) bond length is 2.39 Å. The Ca(5)-O(2) bond length is 2.52 Å. The Ca(5)-O(3) bond length is 2.45 Å. The Ca(5)-O(4) bond length is 2.73 Å. The Ca(5)-O(5) bond length is 2.74 Å. The Ca(5)-O(9) bond length is 2.47 Å. There is one shorter (2.46 Å) and one longer (2.51 Å) Ca(5)-O(7) bond length. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(6), and two equivalent O(8) atoms. The Ca(6)-O(1) bond length is 2.46 Å. The Ca(6)-O(10) bond length is 2.52 Å. The Ca(6)-O(11) bond length is 2.43 Å. The Ca(6)-O(3) bond length is 2.75 Å. The Ca(6)-O(4) bond length is 2.54 Å. The Ca(6)-O(6) bond length is 2.73 Å. There is one shorter (2.37 Å) and one longer (2.47 Å) Ca(6)-O(8) bond length. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms. Both Ca(7)-O(1) bond lengths are 2.74 Å. Both Ca(7)-O(12) bond lengths are 2.49 Å. Both Ca(7)-O(5) bond lengths are 2.47 Å. Both Ca(7)-O(9) bond lengths are 2.42 Å. In the eighth Ca site, Ca(8) is bonded in a 8-coordinate geometry to two equivalent O(10), two equivalent O(11), two equivalent O(2), and two equivalent O(6) atoms. Both Ca(8)-O(10) bond lengths are 2.40 Å. Both Ca(8)-O(11) bond lengths are 2.49 Å. Both Ca(8)-O(2) bond lengths are 2.77 Å. Both Ca(8)-O(6) bond lengths are 2.51 Å. In the ninth Ca site, Ca(9) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Both Ca(9)-O(2) bond lengths are 2.34 Å. Both Ca(9)-O(4) bond lengths are 2.35 Å. Both Ca(9)-O(6) bond lengths are 2.35 Å. In the tenth Ca site, Ca(10) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms. Both Ca(10)-O(10) bond lengths are 2.35 Å. Both Ca(10)-O(12) bond lengths are 2.33 Å. Both Ca(10)-O(7) bond lengths are 2.34 Å. In the eleventh Ca site, Ca(11) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(8), and two equivalent O(9) atoms. Both Ca(11)-O(11) bond lengths are 2.34 Å. Both Ca(11)-O(8) bond lengths are 2.33 Å. Both Ca(11)-O(9) bond lengths are 2.33 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. The Ir(1)-O(1) bond length is 2.03 Å. The Ir(1)-O(10) bond length is 2.04 Å. The Ir(1)-O(12) bond length is 2.05 Å. The Ir(1)-O(3) bond length is 2.02 Å. The Ir(1)-O(5) bond length is 2.02 Å. The Ir(1)-O(7) bond length is 2.05 Å. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. The Ir(2)-O(11) bond length is 2.04 Å. The Ir(2)-O(2) bond length is 2.04 Å. The Ir(2)-O(4) bond length is 2.05 Å. The Ir(2)-O(6) bond length is 2.06 Å. The Ir(2)-O(8) bond length is 2.04 Å. The Ir(2)-O(9) bond length is 2.04 Å. Ni(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. Both Ni(1)-O(1) bond lengths are 2.21 Å. Both Ni(1)-O(3) bond lengths are 2.18 Å. Both Ni(1)-O(5) bond lengths are 2.18 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(6), one Ca(7), two equivalent Ca(2), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra, and  a faceface with one O(12)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the second O site, O(2) is bonded to one Ca(5), one Ca(8), one Ca(9), two equivalent Ca(1), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(5)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the third O site, O(3) is bonded to one Ca(2), one Ca(3), one Ca(5), one Ca(6), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the fourth O site, O(4) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(6), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(7), one Ir(1), and one Ni(1) atom to form distorted OCa4NiIr octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra, edges with three equivalent O(9)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-69°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(3), one Ca(6), one Ca(8), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with three equivalent O(10)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the seventh O site, O(7) is bonded to one Ca(1), one Ca(10), one Ca(3), two equivalent Ca(5), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the eighth O site, O(8) is bonded to one Ca(11), one Ca(2), one Ca(4), two equivalent Ca(6), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(10)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(11), one Ca(4), one Ca(5), one Ca(7), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(7)Ca5Ir octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with three equivalent O(5)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the tenth O site, O(10) is bonded to one Ca(10), one Ca(2), one Ca(3), one Ca(6), one Ca(8), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra, edges with three equivalent O(6)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(12)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the eleventh O site, O(11) is bonded to one Ca(1), one Ca(11), one Ca(2), one Ca(6), one Ca(8), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(1)Ca4NiIr octahedra,  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(2)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(8)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(10), one Ca(2), one Ca(5), one Ca(7), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(3)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(2)Ca5Ir octahedra,  an edgeedge with one O(7)Ca5Ir octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and  a faceface with one O(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-69°.