The compound described by CrIrZn2O6 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Ir(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-83°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Ir(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2CrIr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ir(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2CrIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.225
_cell_length_c   7.644
_cell_angle_alpha   90.000
_cell_angle_beta   89.686
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.999
_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
  Zn  Zn0  1  0.991  0.967  0.249  1.0
  Zn  Zn1  1  0.509  0.467  0.251  1.0
  Zn  Zn2  1  0.491  0.533  0.749  1.0
  Zn  Zn3  1  0.009  0.033  0.751  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.117  0.415  0.747  1.0
  O  O9  1  0.177  0.174  0.063  1.0
  O  O10  1  0.172  0.177  0.434  1.0
  O  O11  1  0.328  0.677  0.066  1.0
  O  O12  1  0.323  0.674  0.437  1.0
  O  O13  1  0.383  0.915  0.753  1.0
  O  O14  1  0.617  0.085  0.247  1.0
  O  O15  1  0.677  0.326  0.563  1.0
  O  O16  1  0.672  0.323  0.934  1.0
  O  O17  1  0.823  0.826  0.937  1.0
  O  O18  1  0.828  0.823  0.566  1.0
  O  O19  1  0.883  0.585  0.253  1.0
[/CIF]
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The compound described by CrIrZn2O6 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. Ir(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form IrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with eight equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-45°. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Ir(1)O6 octahedra, and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 65-83°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Ir(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2CrIr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ir(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2CrIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   5.225
_cell_length_c   7.644
_cell_angle_alpha   90.000
_cell_angle_beta   89.686
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   208.999
_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
  Zn  Zn0  1  0.991  0.967  0.249  1.0
  Zn  Zn1  1  0.509  0.467  0.251  1.0
  Zn  Zn2  1  0.491  0.533  0.749  1.0
  Zn  Zn3  1  0.009  0.033  0.751  1.0
  Cr  Cr4  1  0.000  0.500  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.117  0.415  0.747  1.0
  O  O9  1  0.177  0.174  0.063  1.0
  O  O10  1  0.172  0.177  0.434  1.0
  O  O11  1  0.328  0.677  0.066  1.0
  O  O12  1  0.323  0.674  0.437  1.0
  O  O13  1  0.383  0.915  0.753  1.0
  O  O14  1  0.617  0.085  0.247  1.0
  O  O15  1  0.677  0.326  0.563  1.0
  O  O16  1  0.672  0.323  0.934  1.0
  O  O17  1  0.823  0.826  0.937  1.0
  O  O18  1  0.828  0.823  0.566  1.0
  O  O19  1  0.883  0.585  0.253  1.0
[/CIF]
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