The material described by Mg2IrNiO6 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(3), and three equivalent O(2) 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. 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 Ni(1) atom to form distorted corner-sharing OMg2NiIr 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 Ni(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ir(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.110
_cell_length_c   9.104
_cell_angle_alpha   55.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.026
_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  0.236  0.751  1.0
  Mg  Mg1  1  0.436  0.764  0.749  1.0
  Mg  Mg2  1  0.564  0.236  0.251  1.0
  Mg  Mg3  1  0.064  0.764  0.249  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  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  0.432  0.604  0.258  1.0
  O  O9  1  0.181  0.882  0.930  1.0
  O  O10  1  0.191  0.252  0.575  1.0
  O  O11  1  0.691  0.748  0.925  1.0
  O  O12  1  0.681  0.118  0.570  1.0
  O  O13  1  0.932  0.396  0.242  1.0
  O  O14  1  0.068  0.604  0.758  1.0
  O  O15  1  0.319  0.882  0.430  1.0
  O  O16  1  0.309  0.252  0.075  1.0
  O  O17  1  0.819  0.118  0.070  1.0
  O  O18  1  0.809  0.748  0.425  1.0
  O  O19  1  0.568  0.396  0.742  1.0
[/CIF]
.
The material described by Mg2IrNiO6 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(3), and three equivalent O(2) 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 Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ir(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. 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 Ni(1) atom to form distorted corner-sharing OMg2NiIr 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 Ni(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Ir(1), and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2NiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.322
_cell_length_b   5.110
_cell_length_c   9.104
_cell_angle_alpha   55.905
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   205.026
_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  0.236  0.751  1.0
  Mg  Mg1  1  0.436  0.764  0.749  1.0
  Mg  Mg2  1  0.564  0.236  0.251  1.0
  Mg  Mg3  1  0.064  0.764  0.249  1.0
  Ni  Ni4  1  0.500  0.000  0.000  1.0
  Ni  Ni5  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  0.432  0.604  0.258  1.0
  O  O9  1  0.181  0.882  0.930  1.0
  O  O10  1  0.191  0.252  0.575  1.0
  O  O11  1  0.691  0.748  0.925  1.0
  O  O12  1  0.681  0.118  0.570  1.0
  O  O13  1  0.932  0.396  0.242  1.0
  O  O14  1  0.068  0.604  0.758  1.0
  O  O15  1  0.319  0.882  0.430  1.0
  O  O16  1  0.309  0.252  0.075  1.0
  O  O17  1  0.819  0.118  0.070  1.0
  O  O18  1  0.809  0.748  0.425  1.0
  O  O19  1  0.568  0.396  0.742  1.0
[/CIF]
.