The compound described by Mg2IrCoO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ir(1), and one Co(1) atom to form distorted corner-sharing OMg2CoIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Mg2CoIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   5.039
_cell_length_c   8.930
_cell_angle_alpha   55.763
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.220
_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
  Mg  Mg0  1  0.936  0.235  0.752  1.0
  Mg  Mg1  1  0.436  0.765  0.748  1.0
  Mg  Mg2  1  0.564  0.235  0.252  1.0
  Mg  Mg3  1  0.064  0.765  0.248  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.433  0.621  0.247  1.0
  O  O9  1  0.189  0.891  0.932  1.0
  O  O10  1  0.182  0.246  0.571  1.0
  O  O11  1  0.682  0.754  0.929  1.0
  O  O12  1  0.689  0.109  0.568  1.0
  O  O13  1  0.933  0.379  0.253  1.0
  O  O14  1  0.067  0.621  0.747  1.0
  O  O15  1  0.311  0.891  0.432  1.0
  O  O16  1  0.318  0.246  0.071  1.0
  O  O17  1  0.811  0.109  0.068  1.0
  O  O18  1  0.818  0.754  0.429  1.0
  O  O19  1  0.567  0.379  0.753  1.0
[/CIF]
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The compound described by Mg2IrCoO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Ir(1), and one Co(1) atom to form distorted corner-sharing OMg2CoIr trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Mg(1), one Ir(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Mg2CoIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.248
_cell_length_b   5.039
_cell_length_c   8.930
_cell_angle_alpha   55.763
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.220
_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
  Mg  Mg0  1  0.936  0.235  0.752  1.0
  Mg  Mg1  1  0.436  0.765  0.748  1.0
  Mg  Mg2  1  0.564  0.235  0.252  1.0
  Mg  Mg3  1  0.064  0.765  0.248  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.500  0.500  0.500  1.0
  Ir  Ir7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.433  0.621  0.247  1.0
  O  O9  1  0.189  0.891  0.932  1.0
  O  O10  1  0.182  0.246  0.571  1.0
  O  O11  1  0.682  0.754  0.929  1.0
  O  O12  1  0.689  0.109  0.568  1.0
  O  O13  1  0.933  0.379  0.253  1.0
  O  O14  1  0.067  0.621  0.747  1.0
  O  O15  1  0.311  0.891  0.432  1.0
  O  O16  1  0.318  0.246  0.071  1.0
  O  O17  1  0.811  0.109  0.068  1.0
  O  O18  1  0.818  0.754  0.429  1.0
  O  O19  1  0.567  0.379  0.753  1.0
[/CIF]
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