The structure described by IrNiZn2O6 crystallizes in the monoclinic Pc space group. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-86°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-85°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the second O site, O(2) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Zn2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.246
_cell_length_c   7.705
_cell_angle_alpha   90.947
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   210.655
_cell_formula_units_Z   2
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
  Ir  Ir0  1  0.500  1.000  0.500  1.0
  Ir  Ir1  1  0.000  0.500  1.000  1.0
  Ni  Ni2  1  0.500  0.999  0.001  1.0
  Ni  Ni3  1  0.999  0.500  0.501  1.0
  O  O4  1  0.411  0.886  0.739  1.0
  O  O5  1  0.910  0.615  0.761  1.0
  O  O6  1  0.089  0.386  0.239  1.0
  O  O7  1  0.590  0.115  0.261  1.0
  O  O8  1  0.166  0.823  0.056  1.0
  O  O9  1  0.666  0.677  0.443  1.0
  O  O10  1  0.334  0.323  0.556  1.0
  O  O11  1  0.834  0.177  0.943  1.0
  O  O12  1  0.181  0.844  0.425  1.0
  O  O13  1  0.682  0.656  0.075  1.0
  O  O14  1  0.319  0.344  0.925  1.0
  O  O15  1  0.818  0.156  0.575  1.0
  Zn  Zn16  1  0.969  0.016  0.242  1.0
  Zn  Zn17  1  0.469  0.485  0.258  1.0
  Zn  Zn18  1  0.531  0.516  0.742  1.0
  Zn  Zn19  1  0.031  0.985  0.758  1.0
[/CIF]
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The structure described by IrNiZn2O6 crystallizes in the monoclinic Pc space group. Ir(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form IrO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra, corners with four equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-86°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form distorted ZnO4 tetrahedra that share corners with four equivalent Ir(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 61-85°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the second O site, O(2) is bonded to one Ir(1), one Ni(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OZn2NiIr tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ir(1), one Ni(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_Zn2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.246
_cell_length_c   7.705
_cell_angle_alpha   90.947
_cell_angle_beta   89.999
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   210.655
_cell_formula_units_Z   2
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
  Ir  Ir0  1  0.500  1.000  0.500  1.0
  Ir  Ir1  1  0.000  0.500  1.000  1.0
  Ni  Ni2  1  0.500  0.999  0.001  1.0
  Ni  Ni3  1  0.999  0.500  0.501  1.0
  O  O4  1  0.411  0.886  0.739  1.0
  O  O5  1  0.910  0.615  0.761  1.0
  O  O6  1  0.089  0.386  0.239  1.0
  O  O7  1  0.590  0.115  0.261  1.0
  O  O8  1  0.166  0.823  0.056  1.0
  O  O9  1  0.666  0.677  0.443  1.0
  O  O10  1  0.334  0.323  0.556  1.0
  O  O11  1  0.834  0.177  0.943  1.0
  O  O12  1  0.181  0.844  0.425  1.0
  O  O13  1  0.682  0.656  0.075  1.0
  O  O14  1  0.319  0.344  0.925  1.0
  O  O15  1  0.818  0.156  0.575  1.0
  Zn  Zn16  1  0.969  0.016  0.242  1.0
  Zn  Zn17  1  0.469  0.485  0.258  1.0
  Zn  Zn18  1  0.531  0.516  0.742  1.0
  Zn  Zn19  1  0.031  0.985  0.758  1.0
[/CIF]
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