The structure described by Sr2MgIrNiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Ir(1)O6 octahedra. 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 faces with two equivalent Mg(1)O6 octahedra. Ni(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Mg(1), one Ir(1), and one Ni(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Ir(1), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing OSr2MgNiIr trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mg(1), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Sr2MgNiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.794
_cell_length_b   5.963
_cell_length_c   5.254
_cell_angle_alpha   106.125
_cell_angle_beta   120.469
_cell_angle_gamma   109.004
_symmetry_Int_Tables_number   1
_cell_volume   145.602
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.794  0.192  0.492  1.0
  Sr  Sr1  1  0.206  0.808  0.508  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ir  Ir4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.175  0.311  0.475  1.0
  O  O6  1  0.825  0.689  0.525  1.0
  O  O7  1  0.348  0.173  0.057  1.0
  O  O8  1  0.652  0.827  0.943  1.0
  O  O9  1  0.670  0.356  0.847  1.0
  O  O10  1  0.330  0.644  0.153  1.0
[/CIF]
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The structure described by Sr2MgIrNiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 9-coordinate geometry to one Ni(1), two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Ir(1)O6 octahedra. 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 faces with two equivalent Mg(1)O6 octahedra. Ni(1) is bonded in a square co-planar geometry to two equivalent Sr(1), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Sr(1), one Mg(1), one Ir(1), and one Ni(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Ir(1), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing OSr2MgNiIr trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sr(1), one Mg(1), and one Ir(1) atom. is represented by the CIF file [CIF]
data_Sr2MgNiIrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.794
_cell_length_b   5.963
_cell_length_c   5.254
_cell_angle_alpha   106.125
_cell_angle_beta   120.469
_cell_angle_gamma   109.004
_symmetry_Int_Tables_number   1
_cell_volume   145.602
_cell_formula_units_Z   1
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
  Sr  Sr0  1  0.794  0.192  0.492  1.0
  Sr  Sr1  1  0.206  0.808  0.508  1.0
  Mg  Mg2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Ir  Ir4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.175  0.311  0.475  1.0
  O  O6  1  0.825  0.689  0.525  1.0
  O  O7  1  0.348  0.173  0.057  1.0
  O  O8  1  0.652  0.827  0.943  1.0
  O  O9  1  0.670  0.356  0.847  1.0
  O  O10  1  0.330  0.644  0.153  1.0
[/CIF]
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