The crystal structure described by Ba2MgDyNbO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), and six equivalent O(2) 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 3-coordinate geometry to one Ba(1) and three equivalent O(1) atoms. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted DyO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with six equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), one Mg(1), one Dy(1), and one Nb(1) atom to form a mixture of distorted corner and face-sharing OBa3DyMgNb octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Dy(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2DyMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.836
_cell_length_b   6.837
_cell_length_c   6.836
_cell_angle_alpha   51.665
_cell_angle_beta   51.665
_cell_angle_gamma   51.665
_symmetry_Int_Tables_number   1
_cell_volume   181.606
_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  0.698  0.697  0.698  1.0
  Ba  Ba1  1  0.274  0.273  0.274  1.0
  Dy  Dy2  1  0.494  0.492  0.494  1.0
  Mg  Mg3  1  0.868  0.866  0.868  1.0
  Nb  Nb4  1  0.020  0.019  0.020  1.0
  O  O5  1  0.247  0.771  0.772  1.0
  O  O6  1  0.241  0.749  0.241  1.0
  O  O7  1  0.771  0.246  0.771  1.0
  O  O8  1  0.241  0.240  0.749  1.0
  O  O9  1  0.749  0.240  0.241  1.0
  O  O10  1  0.772  0.771  0.247  1.0
[/CIF]
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The crystal structure described by Ba2MgDyNbO6 crystallizes in the trigonal R3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(1), and six equivalent O(2) 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 3-coordinate geometry to one Ba(1) and three equivalent O(1) atoms. Dy(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted DyO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. Nb(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted NbO6 octahedra that share corners with six equivalent Dy(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), two equivalent Ba(2), one Mg(1), one Dy(1), and one Nb(1) atom to form a mixture of distorted corner and face-sharing OBa3DyMgNb octahedra. The corner-sharing octahedral tilt angles range from 8-60°. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ba(2), two equivalent Ba(1), one Dy(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Ba2DyMgNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.836
_cell_length_b   6.837
_cell_length_c   6.836
_cell_angle_alpha   51.665
_cell_angle_beta   51.665
_cell_angle_gamma   51.665
_symmetry_Int_Tables_number   1
_cell_volume   181.606
_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  0.698  0.697  0.698  1.0
  Ba  Ba1  1  0.274  0.273  0.274  1.0
  Dy  Dy2  1  0.494  0.492  0.494  1.0
  Mg  Mg3  1  0.868  0.866  0.868  1.0
  Nb  Nb4  1  0.020  0.019  0.020  1.0
  O  O5  1  0.247  0.771  0.772  1.0
  O  O6  1  0.241  0.749  0.241  1.0
  O  O7  1  0.771  0.246  0.771  1.0
  O  O8  1  0.241  0.240  0.749  1.0
  O  O9  1  0.749  0.240  0.241  1.0
  O  O10  1  0.772  0.771  0.247  1.0
[/CIF]
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