The structure described by Ba2MgNdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Ru(1) is bonded to two equivalent O(1) and four 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 0-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Nd(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2NdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.035
_cell_length_c   6.378
_cell_angle_alpha   61.763
_cell_angle_beta   58.020
_cell_angle_gamma   61.763
_symmetry_Int_Tables_number   1
_cell_volume   175.165
_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  0.689  0.811  0.689  1.0
  Ba  Ba1  1  0.311  0.189  0.311  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Ru  Ru4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.731  0.269  0.731  1.0
  O  O6  1  0.248  0.277  0.752  1.0
  O  O7  1  0.248  0.723  0.752  1.0
  O  O8  1  0.752  0.277  0.248  1.0
  O  O9  1  0.752  0.723  0.248  1.0
  O  O10  1  0.269  0.731  0.269  1.0
[/CIF]
.
The structure described by Ba2MgNdRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to one Mg(1), four equivalent O(1), and four equivalent O(2) atoms. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent Ba(1) and four equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NdO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. Ru(1) is bonded to two equivalent O(1) and four 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 0-7°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Nd(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Mg(1), one Nd(1), and one Ru(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2NdMgRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.378
_cell_length_b   6.035
_cell_length_c   6.378
_cell_angle_alpha   61.763
_cell_angle_beta   58.020
_cell_angle_gamma   61.763
_symmetry_Int_Tables_number   1
_cell_volume   175.165
_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  0.689  0.811  0.689  1.0
  Ba  Ba1  1  0.311  0.189  0.311  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.000  1.0
  Ru  Ru4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.731  0.269  0.731  1.0
  O  O6  1  0.248  0.277  0.752  1.0
  O  O7  1  0.248  0.723  0.752  1.0
  O  O8  1  0.752  0.277  0.248  1.0
  O  O9  1  0.752  0.723  0.248  1.0
  O  O10  1  0.269  0.731  0.269  1.0
[/CIF]
.