The material structure described by Sr2MgRuNiO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent O(1), and six equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. Ru(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to one Sr(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ru(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Sr2MgNiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.837
_cell_length_c   6.178
_cell_angle_alpha   61.811
_cell_angle_beta   61.811
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.755
_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  0.300  0.300  0.099  1.0
  Sr  Sr1  1  0.727  0.727  0.819  1.0
  Mg  Mg2  1  0.073  0.073  0.781  1.0
  Ni  Ni3  1  0.913  0.913  0.262  1.0
  Ru  Ru4  1  0.514  0.514  0.458  1.0
  O  O5  1  0.756  0.288  0.201  1.0
  O  O6  1  0.741  0.282  0.695  1.0
  O  O7  1  0.756  0.756  0.201  1.0
  O  O8  1  0.282  0.741  0.695  1.0
  O  O9  1  0.288  0.756  0.201  1.0
  O  O10  1  0.282  0.282  0.695  1.0
[/CIF]
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The material structure described by Sr2MgRuNiO6 crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to one Ni(1), three equivalent O(1), and six equivalent O(2) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(2) atoms. Ru(1) is bonded in an octahedral geometry to three equivalent O(1) and three equivalent O(2) atoms. Ni(1) is bonded in a distorted trigonal planar geometry to one Sr(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one Ru(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Mg(1), and one Ru(1) atom. is represented by the CIF file [CIF]
data_Sr2MgNiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.837
_cell_length_b   5.837
_cell_length_c   6.178
_cell_angle_alpha   61.811
_cell_angle_beta   61.811
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   152.755
_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  0.300  0.300  0.099  1.0
  Sr  Sr1  1  0.727  0.727  0.819  1.0
  Mg  Mg2  1  0.073  0.073  0.781  1.0
  Ni  Ni3  1  0.913  0.913  0.262  1.0
  Ru  Ru4  1  0.514  0.514  0.458  1.0
  O  O5  1  0.756  0.288  0.201  1.0
  O  O6  1  0.741  0.282  0.695  1.0
  O  O7  1  0.756  0.756  0.201  1.0
  O  O8  1  0.282  0.741  0.695  1.0
  O  O9  1  0.288  0.756  0.201  1.0
  O  O10  1  0.282  0.282  0.695  1.0
[/CIF]
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