The material structure described by 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°. is represented by the CIF card [CIF]
data_Ca15Ni(IrO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.386
_cell_length_b   6.578
_cell_length_c   9.223
_cell_angle_alpha   88.673
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.293
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.680  0.637  0.321  1.0
  Ca  Ca1  1  0.177  0.647  0.822  1.0
  Ca  Ca2  1  0.177  0.353  0.178  1.0
  Ca  Ca3  1  0.680  0.363  0.679  1.0
  Ca  Ca4  1  0.139  0.000  0.500  1.0
  Ca  Ca5  1  0.646  0.000  0.000  1.0
  Ca  Ca6  1  0.821  0.139  0.313  1.0
  Ca  Ca7  1  0.317  0.135  0.824  1.0
  Ca  Ca8  1  0.865  0.500  0.000  1.0
  Ca  Ca9  1  0.359  0.500  0.500  1.0
  Ca  Ca10  1  0.317  0.865  0.176  1.0
  Ca  Ca11  1  0.821  0.861  0.687  1.0
  Ca  Ca12  1  0.500  0.000  0.500  1.0
  Ca  Ca13  1  0.999  0.500  0.500  1.0
  Ca  Ca14  1  0.500  0.500  0.000  1.0
  Ni  Ni15  1  1.000  0.000  0.000  1.0
  Ir  Ir16  1  0.001  0.752  0.248  1.0
  Ir  Ir17  1  0.500  0.750  0.750  1.0
  Ir  Ir18  1  0.001  0.248  0.752  1.0
  Ir  Ir19  1  0.500  0.250  0.250  1.0
  O  O20  1  0.108  0.712  0.060  1.0
  O  O21  1  0.612  0.694  0.565  1.0
  O  O22  1  0.058  0.048  0.225  1.0
  O  O23  1  0.567  0.047  0.743  1.0
  O  O24  1  0.835  0.831  0.118  1.0
  O  O25  1  0.321  0.826  0.631  1.0
  O  O26  1  0.888  0.194  0.567  1.0
  O  O27  1  0.387  0.196  0.066  1.0
  O  O28  1  0.676  0.325  0.130  1.0
  O  O29  1  0.175  0.319  0.629  1.0
  O  O30  1  0.435  0.547  0.243  1.0
  O  O31  1  0.937  0.545  0.741  1.0
  O  O32  1  0.888  0.806  0.433  1.0
  O  O33  1  0.387  0.804  0.934  1.0
  O  O34  1  0.937  0.455  0.259  1.0
  O  O35  1  0.435  0.453  0.757  1.0
  O  O36  1  0.175  0.681  0.371  1.0
  O  O37  1  0.676  0.675  0.870  1.0
  O  O38  1  0.108  0.288  0.940  1.0
  O  O39  1  0.612  0.306  0.435  1.0
  O  O40  1  0.321  0.174  0.369  1.0
  O  O41  1  0.835  0.169  0.882  1.0
  O  O42  1  0.567  0.953  0.257  1.0
  O  O43  1  0.058  0.952  0.775  1.0
[/CIF]
.
The material structure described by 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°. is represented by the CIF card [CIF]
data_Ca15Ni(IrO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.386
_cell_length_b   6.578
_cell_length_c   9.223
_cell_angle_alpha   88.673
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   569.293
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.680  0.637  0.321  1.0
  Ca  Ca1  1  0.177  0.647  0.822  1.0
  Ca  Ca2  1  0.177  0.353  0.178  1.0
  Ca  Ca3  1  0.680  0.363  0.679  1.0
  Ca  Ca4  1  0.139  0.000  0.500  1.0
  Ca  Ca5  1  0.646  0.000  0.000  1.0
  Ca  Ca6  1  0.821  0.139  0.313  1.0
  Ca  Ca7  1  0.317  0.135  0.824  1.0
  Ca  Ca8  1  0.865  0.500  0.000  1.0
  Ca  Ca9  1  0.359  0.500  0.500  1.0
  Ca  Ca10  1  0.317  0.865  0.176  1.0
  Ca  Ca11  1  0.821  0.861  0.687  1.0
  Ca  Ca12  1  0.500  0.000  0.500  1.0
  Ca  Ca13  1  0.999  0.500  0.500  1.0
  Ca  Ca14  1  0.500  0.500  0.000  1.0
  Ni  Ni15  1  1.000  0.000  0.000  1.0
  Ir  Ir16  1  0.001  0.752  0.248  1.0
  Ir  Ir17  1  0.500  0.750  0.750  1.0
  Ir  Ir18  1  0.001  0.248  0.752  1.0
  Ir  Ir19  1  0.500  0.250  0.250  1.0
  O  O20  1  0.108  0.712  0.060  1.0
  O  O21  1  0.612  0.694  0.565  1.0
  O  O22  1  0.058  0.048  0.225  1.0
  O  O23  1  0.567  0.047  0.743  1.0
  O  O24  1  0.835  0.831  0.118  1.0
  O  O25  1  0.321  0.826  0.631  1.0
  O  O26  1  0.888  0.194  0.567  1.0
  O  O27  1  0.387  0.196  0.066  1.0
  O  O28  1  0.676  0.325  0.130  1.0
  O  O29  1  0.175  0.319  0.629  1.0
  O  O30  1  0.435  0.547  0.243  1.0
  O  O31  1  0.937  0.545  0.741  1.0
  O  O32  1  0.888  0.806  0.433  1.0
  O  O33  1  0.387  0.804  0.934  1.0
  O  O34  1  0.937  0.455  0.259  1.0
  O  O35  1  0.435  0.453  0.757  1.0
  O  O36  1  0.175  0.681  0.371  1.0
  O  O37  1  0.676  0.675  0.870  1.0
  O  O38  1  0.108  0.288  0.940  1.0
  O  O39  1  0.612  0.306  0.435  1.0
  O  O40  1  0.321  0.174  0.369  1.0
  O  O41  1  0.835  0.169  0.882  1.0
  O  O42  1  0.567  0.953  0.257  1.0
  O  O43  1  0.058  0.952  0.775  1.0
[/CIF]
.