The material described by Mg2MnIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and one Ir(1) atom to form distorted corner-sharing OMg2MnIr trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Mg2MnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.282
_cell_length_c   7.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.777
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.770
_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  0.013  0.941  0.249  1.0
  Mg  Mg1  1  0.487  0.441  0.251  1.0
  Mg  Mg2  1  0.513  0.559  0.749  1.0
  Mg  Mg3  1  0.987  0.059  0.751  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  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  0.137  0.426  0.740  1.0
  O  O9  1  0.182  0.188  0.071  1.0
  O  O10  1  0.180  0.186  0.427  1.0
  O  O11  1  0.320  0.686  0.073  1.0
  O  O12  1  0.318  0.688  0.429  1.0
  O  O13  1  0.363  0.926  0.760  1.0
  O  O14  1  0.637  0.074  0.240  1.0
  O  O15  1  0.682  0.312  0.571  1.0
  O  O16  1  0.680  0.314  0.927  1.0
  O  O17  1  0.818  0.812  0.929  1.0
  O  O18  1  0.820  0.814  0.573  1.0
  O  O19  1  0.863  0.574  0.260  1.0
[/CIF]
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The material described by Mg2MnIrO6 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-45°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Mn(1), and one Ir(1) atom to form distorted corner-sharing OMg2MnIr trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Ir(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Mn(1), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Mg2MnIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.098
_cell_length_b   5.282
_cell_length_c   7.680
_cell_angle_alpha   90.000
_cell_angle_beta   90.777
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.770
_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  0.013  0.941  0.249  1.0
  Mg  Mg1  1  0.487  0.441  0.251  1.0
  Mg  Mg2  1  0.513  0.559  0.749  1.0
  Mg  Mg3  1  0.987  0.059  0.751  1.0
  Mn  Mn4  1  0.000  0.500  0.000  1.0
  Mn  Mn5  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  0.137  0.426  0.740  1.0
  O  O9  1  0.182  0.188  0.071  1.0
  O  O10  1  0.180  0.186  0.427  1.0
  O  O11  1  0.320  0.686  0.073  1.0
  O  O12  1  0.318  0.688  0.429  1.0
  O  O13  1  0.363  0.926  0.760  1.0
  O  O14  1  0.637  0.074  0.240  1.0
  O  O15  1  0.682  0.312  0.571  1.0
  O  O16  1  0.680  0.314  0.927  1.0
  O  O17  1  0.818  0.812  0.929  1.0
  O  O18  1  0.820  0.814  0.573  1.0
  O  O19  1  0.863  0.574  0.260  1.0
[/CIF]
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