The material structure described by Ca15Ni(IrO6)4 crystallizes in the monoclinic C2 space group. There are nine inequivalent Ca sites. In the first Ca site, Ca(1) 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 second Ca site, Ca(2) 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 third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(3), one O(7), two equivalent O(5), and two equivalent O(9) atoms. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(8), two equivalent O(10), and two equivalent O(6) atoms. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the eighth Ca site, Ca(8) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the ninth Ca site, Ca(9) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. 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(12), one O(3), one O(5), one O(8), and one O(9) atom. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) 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(1), one Ca(3), 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(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(3)Ca4NiIr octahedra, corners with three equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra, edges with two equivalent O(12)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(8)Ca5Ir octahedra,  a faceface with one O(9)Ca5Ir octahedra, and faces with two equivalent O(5)Ca4NiIr octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the second O site, O(2) is bonded to one Ca(2), one Ca(4), one Ca(6), one Ca(7), 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(11)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with three equivalent O(10)Ca5Ir octahedra, corners with three equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra, edges with two equivalent O(11)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and faces with two equivalent O(6)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to one Ca(3), 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(12)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with two equivalent 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(12)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 3-69°. In the fourth O site, O(4) is bonded to one Ca(3), one Ca(4), one Ca(6), one Ca(7), one Ca(8), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with two equivalent O(8)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(6)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(3), two equivalent Ca(5), 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(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(9)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 four equivalent O(5)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(7)Ca5Ir octahedra, edges with two equivalent O(9)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(9)Ca5Ir octahedra, and faces with two equivalent O(1)Ca4NiIr octahedra. The corner-sharing octahedral tilt angles range from 3-68°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(4), one Ca(8), 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(10)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(8)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 four equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra, edges with two equivalent O(10)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and faces with two equivalent O(2)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the seventh O site, O(7) is bonded to one Ca(3), one Ca(4), one Ca(5), one Ca(7), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  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, corners with two equivalent O(6)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra, corners with four equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with two equivalent O(3)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir 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, and  a faceface with one O(4)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eighth O site, O(8) is bonded to one Ca(3), one Ca(4), one Ca(6), one Ca(7), one Ca(9), 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(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra, corners with four equivalent O(7)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with two equivalent O(4)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(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-68°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(3), one Ca(9), two equivalent Ca(5), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra, corners with three equivalent O(12)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(7)Ca5Ir octahedra, edges with two equivalent O(5)Ca4NiIr octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(12)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 3-69°. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(4), one Ca(9), 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(6)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(11)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra, edges with two equivalent O(6)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)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 1-66°. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(2)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, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(6)Ca5Ir 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(12)Ca5Ir octahedra, edges with two equivalent O(2)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(7), one Ca(9), 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(3)Ca4NiIr octahedra,  a cornercorner with one O(12)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, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra, edges with two equivalent 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(7)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 3-68°. is represented by the CIF card [CIF]
data_Ca15Ni(IrO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   13.135
_cell_angle_alpha   89.050
_cell_angle_beta   89.050
_cell_angle_gamma   90.893
_symmetry_Int_Tables_number   1
_cell_volume   569.431
_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  0.104  0.896  0.000  1.0
  Ca  Ca1  1  0.111  0.889  0.500  1.0
  Ca  Ca2  1  0.748  0.602  0.177  1.0
  Ca  Ca3  1  0.752  0.614  0.680  1.0
  Ca  Ca4  1  0.386  0.248  0.320  1.0
  Ca  Ca5  1  0.398  0.252  0.823  1.0
  Ca  Ca6  1  0.251  0.386  0.067  1.0
  Ca  Ca7  1  0.250  0.388  0.570  1.0
  Ca  Ca8  1  0.614  0.749  0.933  1.0
  Ca  Ca9  1  0.612  0.750  0.430  1.0
  Ca  Ca10  1  0.888  0.115  0.245  1.0
  Ca  Ca11  1  0.885  0.112  0.755  1.0
  Ca  Ca12  1  0.750  0.250  0.500  1.0
  Ca  Ca13  1  0.251  0.751  0.250  1.0
  Ca  Ca14  1  0.249  0.749  0.750  1.0
  Ni  Ni15  1  0.750  0.250  0.000  1.0
  Ir  Ir16  1  0.502  0.001  0.123  1.0
  Ir  Ir17  1  0.500  0.000  0.626  1.0
  Ir  Ir18  1  0.999  0.498  0.877  1.0
  Ir  Ir19  1  1.000  0.500  0.374  1.0
  O  O20  1  0.797  0.961  0.082  1.0
  O  O21  1  0.796  0.944  0.589  1.0
  O  O22  1  0.585  0.296  0.141  1.0
  O  O23  1  0.575  0.298  0.656  1.0
  O  O24  1  0.458  0.082  0.976  1.0
  O  O25  1  0.444  0.074  0.477  1.0
  O  O26  1  0.075  0.445  0.227  1.0
  O  O27  1  0.070  0.444  0.728  1.0
  O  O28  1  0.296  0.573  0.902  1.0
  O  O29  1  0.296  0.572  0.403  1.0
  O  O30  1  0.944  0.797  0.339  1.0
  O  O31  1  0.945  0.795  0.839  1.0
  O  O32  1  0.205  0.055  0.161  1.0
  O  O33  1  0.203  0.056  0.661  1.0
  O  O34  1  0.427  0.704  0.098  1.0
  O  O35  1  0.428  0.704  0.597  1.0
  O  O36  1  0.556  0.930  0.272  1.0
  O  O37  1  0.555  0.925  0.773  1.0
  O  O38  1  0.918  0.542  0.024  1.0
  O  O39  1  0.926  0.556  0.523  1.0
  O  O40  1  0.702  0.425  0.344  1.0
  O  O41  1  0.704  0.415  0.859  1.0
  O  O42  1  0.039  0.203  0.918  1.0
  O  O43  1  0.056  0.204  0.411  1.0
[/CIF]
.
The material structure described by Ca15Ni(IrO6)4 crystallizes in the monoclinic C2 space group. There are nine inequivalent Ca sites. In the first Ca site, Ca(1) 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 second Ca site, Ca(2) 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 third Ca site, Ca(3) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(3), one O(4), one O(5), one O(7), one O(8), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the fifth Ca site, Ca(5) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(3), one O(7), two equivalent O(5), and two equivalent O(9) atoms. In the sixth Ca site, Ca(6) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(4), one O(8), two equivalent O(10), and two equivalent O(6) atoms. In the seventh Ca site, Ca(7) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the eighth Ca site, Ca(8) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the ninth Ca site, Ca(9) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(7), one O(8), and one O(9) atom. 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(12), one O(3), one O(5), one O(8), and one O(9) atom. In the second Ir site, Ir(2) is bonded in an octahedral geometry to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) 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(1), one Ca(3), 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(12)Ca5Ir octahedra,  a cornercorner with one O(2)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(3)Ca4NiIr octahedra, corners with three equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(1)Ca4NiIr octahedra,  an edgeedge with one O(11)Ca5Ir octahedra, edges with two equivalent O(12)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(8)Ca5Ir octahedra,  a faceface with one O(9)Ca5Ir octahedra, and faces with two equivalent O(5)Ca4NiIr octahedra. The corner-sharing octahedral tilt angles range from 3-67°. In the second O site, O(2) is bonded to one Ca(2), one Ca(4), one Ca(6), one Ca(7), 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(11)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(6)Ca5Ir octahedra, corners with three equivalent O(10)Ca5Ir octahedra, corners with three equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(12)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra, edges with two equivalent O(11)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and faces with two equivalent O(6)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-68°. In the third O site, O(3) is bonded to one Ca(3), 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(12)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(8)Ca5Ir octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(2)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with two equivalent 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(12)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 3-69°. In the fourth O site, O(4) is bonded to one Ca(3), one Ca(4), one Ca(6), one Ca(7), one Ca(8), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(1)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with two equivalent O(8)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(6)Ca5Ir octahedra, and  a faceface with one O(7)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 1-66°. In the fifth O site, O(5) is bonded to one Ca(1), one Ca(3), two equivalent Ca(5), 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(11)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(7)Ca5Ir octahedra,  a cornercorner with one O(9)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 four equivalent O(5)Ca4NiIr octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(7)Ca5Ir octahedra, edges with two equivalent O(9)Ca5Ir octahedra,  a faceface with one O(3)Ca4NiIr octahedra,  a faceface with one O(12)Ca5Ir octahedra,  a faceface with one O(9)Ca5Ir octahedra, and faces with two equivalent O(1)Ca4NiIr octahedra. The corner-sharing octahedral tilt angles range from 3-68°. In the sixth O site, O(6) is bonded to one Ca(2), one Ca(4), one Ca(8), 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(10)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra,  a cornercorner with one O(8)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 four equivalent O(6)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra, edges with two equivalent O(10)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra, and faces with two equivalent O(2)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the seventh O site, O(7) is bonded to one Ca(3), one Ca(4), one Ca(5), one Ca(7), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  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, corners with two equivalent O(6)Ca5Ir octahedra, corners with two equivalent O(9)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra, corners with four equivalent O(8)Ca5Ir octahedra,  an edgeedge with one O(5)Ca4NiIr octahedra,  an edgeedge with one O(9)Ca5Ir octahedra, edges with two equivalent O(3)Ca4NiIr octahedra,  a faceface with one O(10)Ca5Ir 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, and  a faceface with one O(4)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-67°. In the eighth O site, O(8) is bonded to one Ca(3), one Ca(4), one Ca(6), one Ca(7), one Ca(9), 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(11)Ca5Ir octahedra,  a cornercorner with one O(12)Ca5Ir octahedra,  a cornercorner with one O(6)Ca5Ir octahedra, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra, corners with four equivalent O(7)Ca5Ir octahedra,  an edgeedge with one O(10)Ca5Ir octahedra,  an edgeedge with one O(6)Ca5Ir octahedra, edges with two equivalent O(4)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(9)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 3-68°. In the ninth O site, O(9) is bonded to one Ca(1), one Ca(3), one Ca(9), two equivalent Ca(5), and one Ir(1) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(10)Ca5Ir octahedra,  a cornercorner with one O(4)Ca5Ir octahedra, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(11)Ca5Ir octahedra, corners with two equivalent O(7)Ca5Ir octahedra, corners with three equivalent O(1)Ca4NiIr octahedra, corners with three equivalent O(12)Ca5Ir octahedra,  an edgeedge with one O(3)Ca4NiIr octahedra,  an edgeedge with one O(7)Ca5Ir octahedra, edges with two equivalent O(5)Ca4NiIr octahedra,  a faceface with one O(1)Ca4NiIr octahedra,  a faceface with one O(5)Ca4NiIr octahedra,  a faceface with one O(12)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 3-69°. In the tenth O site, O(10) is bonded to one Ca(2), one Ca(4), one Ca(9), 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(6)Ca5Ir octahedra,  a cornercorner with one O(9)Ca5Ir octahedra, corners with two equivalent O(12)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with two equivalent O(8)Ca5Ir octahedra, corners with three equivalent O(11)Ca5Ir octahedra, corners with three equivalent O(2)Ca5Ir octahedra,  an edgeedge with one O(4)Ca5Ir octahedra,  an edgeedge with one O(8)Ca5Ir octahedra, edges with two equivalent O(6)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(11)Ca5Ir octahedra,  a faceface with one O(2)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 1-66°. In the eleventh O site, O(11) is bonded to one Ca(2), one Ca(3), one Ca(6), one Ca(7), one Ca(9), and one Ir(2) atom to form distorted OCa5Ir octahedra that share  a cornercorner with one O(5)Ca4NiIr octahedra,  a cornercorner with one O(11)Ca5Ir octahedra,  a cornercorner with one O(2)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, corners with two equivalent O(3)Ca4NiIr octahedra, corners with two equivalent O(6)Ca5Ir 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(12)Ca5Ir octahedra, edges with two equivalent O(2)Ca5Ir octahedra,  a faceface with one O(10)Ca5Ir octahedra,  a faceface with one O(4)Ca5Ir octahedra,  a faceface with one O(6)Ca5Ir octahedra,  a faceface with one O(7)Ca5Ir octahedra, and  a faceface with one O(8)Ca5Ir octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the twelfth O site, O(12) is bonded to one Ca(1), one Ca(4), one Ca(5), one Ca(7), one Ca(9), 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(3)Ca4NiIr octahedra,  a cornercorner with one O(12)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, corners with two equivalent O(5)Ca4NiIr octahedra, corners with two equivalent O(10)Ca5Ir octahedra, corners with two equivalent O(4)Ca5Ir octahedra, corners with three equivalent O(9)Ca5Ir octahedra,  an edgeedge with one O(11)Ca5Ir octahedra,  an edgeedge with one O(2)Ca5Ir octahedra, edges with two equivalent 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(7)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 3-68°. is represented by the CIF card [CIF]
data_Ca15Ni(IrO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.586
_cell_length_b   6.586
_cell_length_c   13.135
_cell_angle_alpha   89.050
_cell_angle_beta   89.050
_cell_angle_gamma   90.893
_symmetry_Int_Tables_number   1
_cell_volume   569.431
_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  0.104  0.896  0.000  1.0
  Ca  Ca1  1  0.111  0.889  0.500  1.0
  Ca  Ca2  1  0.748  0.602  0.177  1.0
  Ca  Ca3  1  0.752  0.614  0.680  1.0
  Ca  Ca4  1  0.386  0.248  0.320  1.0
  Ca  Ca5  1  0.398  0.252  0.823  1.0
  Ca  Ca6  1  0.251  0.386  0.067  1.0
  Ca  Ca7  1  0.250  0.388  0.570  1.0
  Ca  Ca8  1  0.614  0.749  0.933  1.0
  Ca  Ca9  1  0.612  0.750  0.430  1.0
  Ca  Ca10  1  0.888  0.115  0.245  1.0
  Ca  Ca11  1  0.885  0.112  0.755  1.0
  Ca  Ca12  1  0.750  0.250  0.500  1.0
  Ca  Ca13  1  0.251  0.751  0.250  1.0
  Ca  Ca14  1  0.249  0.749  0.750  1.0
  Ni  Ni15  1  0.750  0.250  0.000  1.0
  Ir  Ir16  1  0.502  0.001  0.123  1.0
  Ir  Ir17  1  0.500  0.000  0.626  1.0
  Ir  Ir18  1  0.999  0.498  0.877  1.0
  Ir  Ir19  1  1.000  0.500  0.374  1.0
  O  O20  1  0.797  0.961  0.082  1.0
  O  O21  1  0.796  0.944  0.589  1.0
  O  O22  1  0.585  0.296  0.141  1.0
  O  O23  1  0.575  0.298  0.656  1.0
  O  O24  1  0.458  0.082  0.976  1.0
  O  O25  1  0.444  0.074  0.477  1.0
  O  O26  1  0.075  0.445  0.227  1.0
  O  O27  1  0.070  0.444  0.728  1.0
  O  O28  1  0.296  0.573  0.902  1.0
  O  O29  1  0.296  0.572  0.403  1.0
  O  O30  1  0.944  0.797  0.339  1.0
  O  O31  1  0.945  0.795  0.839  1.0
  O  O32  1  0.205  0.055  0.161  1.0
  O  O33  1  0.203  0.056  0.661  1.0
  O  O34  1  0.427  0.704  0.098  1.0
  O  O35  1  0.428  0.704  0.597  1.0
  O  O36  1  0.556  0.930  0.272  1.0
  O  O37  1  0.555  0.925  0.773  1.0
  O  O38  1  0.918  0.542  0.024  1.0
  O  O39  1  0.926  0.556  0.523  1.0
  O  O40  1  0.702  0.425  0.344  1.0
  O  O41  1  0.704  0.415  0.859  1.0
  O  O42  1  0.039  0.203  0.918  1.0
  O  O43  1  0.056  0.204  0.411  1.0
[/CIF]
.