The structure described by Ba2MgNdRuO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. Nd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Nd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Nd(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Ba2NdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.692
_cell_length_c   6.040
_cell_angle_alpha   63.175
_cell_angle_beta   60.000
_cell_angle_gamma   63.175
_symmetry_Int_Tables_number   1
_cell_volume   180.431
_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
  Ba  Ba0  1  0.688  0.937  0.688  1.0
  Ba  Ba1  1  0.233  0.302  0.233  1.0
  Nd  Nd2  1  0.031  0.907  0.031  1.0
  Mg  Mg3  1  0.864  0.408  0.864  1.0
  Ru  Ru4  1  0.505  0.485  0.505  1.0
  O  O5  1  0.750  0.255  0.750  1.0
  O  O6  1  0.244  0.255  0.750  1.0
  O  O7  1  0.279  0.690  0.752  1.0
  O  O8  1  0.750  0.255  0.244  1.0
  O  O9  1  0.752  0.690  0.279  1.0
  O  O10  1  0.279  0.690  0.279  1.0
[/CIF]
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The structure described by Ba2MgNdRuO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Mg(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent O(1) atoms. Nd(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), two equivalent Ba(2), one Mg(1), one Nd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Nd(1), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Ba2NdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.692
_cell_length_c   6.040
_cell_angle_alpha   63.175
_cell_angle_beta   60.000
_cell_angle_gamma   63.175
_symmetry_Int_Tables_number   1
_cell_volume   180.431
_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
  Ba  Ba0  1  0.688  0.937  0.688  1.0
  Ba  Ba1  1  0.233  0.302  0.233  1.0
  Nd  Nd2  1  0.031  0.907  0.031  1.0
  Mg  Mg3  1  0.864  0.408  0.864  1.0
  Ru  Ru4  1  0.505  0.485  0.505  1.0
  O  O5  1  0.750  0.255  0.750  1.0
  O  O6  1  0.244  0.255  0.750  1.0
  O  O7  1  0.279  0.690  0.752  1.0
  O  O8  1  0.750  0.255  0.244  1.0
  O  O9  1  0.752  0.690  0.279  1.0
  O  O10  1  0.279  0.690  0.279  1.0
[/CIF]
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