The compound described by FeIrZn2O6 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 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 Fe(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 Fe(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 63-85°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Ir(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2FeIr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Ir(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2FeIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.228
_cell_length_c   7.721
_cell_angle_alpha   90.002
_cell_angle_beta   90.229
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   210.799
_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  0.992  0.968  0.246  1.0
  Zn  Zn1  1  0.508  0.467  0.254  1.0
  Zn  Zn2  1  0.492  0.533  0.746  1.0
  Zn  Zn3  1  0.008  0.032  0.754  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Ir  Ir6  1  1.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.118  0.414  0.744  1.0
  O  O9  1  0.176  0.174  0.062  1.0
  O  O10  1  0.169  0.179  0.431  1.0
  O  O11  1  0.331  0.679  0.069  1.0
  O  O12  1  0.324  0.674  0.438  1.0
  O  O13  1  0.382  0.914  0.756  1.0
  O  O14  1  0.618  0.086  0.244  1.0
  O  O15  1  0.676  0.326  0.562  1.0
  O  O16  1  0.669  0.321  0.931  1.0
  O  O17  1  0.824  0.826  0.938  1.0
  O  O18  1  0.831  0.821  0.569  1.0
  O  O19  1  0.882  0.586  0.256  1.0
[/CIF]
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The compound described by FeIrZn2O6 crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 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 Fe(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 Fe(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 63-85°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Ir(1), and two equivalent Zn(1) atoms to form distorted corner-sharing OZn2FeIr tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Fe(1), one Ir(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Fe(1), one Ir(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2FeIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.222
_cell_length_b   5.228
_cell_length_c   7.721
_cell_angle_alpha   90.002
_cell_angle_beta   90.229
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   210.799
_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  0.992  0.968  0.246  1.0
  Zn  Zn1  1  0.508  0.467  0.254  1.0
  Zn  Zn2  1  0.492  0.533  0.746  1.0
  Zn  Zn3  1  0.008  0.032  0.754  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.500  1.000  0.500  1.0
  Ir  Ir6  1  1.000  0.500  0.500  1.0
  Ir  Ir7  1  0.500  0.000  1.000  1.0
  O  O8  1  0.118  0.414  0.744  1.0
  O  O9  1  0.176  0.174  0.062  1.0
  O  O10  1  0.169  0.179  0.431  1.0
  O  O11  1  0.331  0.679  0.069  1.0
  O  O12  1  0.324  0.674  0.438  1.0
  O  O13  1  0.382  0.914  0.756  1.0
  O  O14  1  0.618  0.086  0.244  1.0
  O  O15  1  0.676  0.326  0.562  1.0
  O  O16  1  0.669  0.321  0.931  1.0
  O  O17  1  0.824  0.826  0.938  1.0
  O  O18  1  0.831  0.821  0.569  1.0
  O  O19  1  0.882  0.586  0.256  1.0
[/CIF]
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