The compound described by Ba2MgNdSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OBa2NdMgSb trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OBa2NdMgSb trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nd(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Ba2NdMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.089
_cell_length_b   6.740
_cell_length_c   6.471
_cell_angle_alpha   58.960
_cell_angle_beta   57.030
_cell_angle_gamma   53.831
_symmetry_Int_Tables_number   1
_cell_volume   200.573
_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  0.695  0.698  0.732  1.0
  Ba  Ba1  1  0.305  0.302  0.268  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.727  0.223  0.771  1.0
  O  O6  1  0.265  0.852  0.635  1.0
  O  O7  1  0.851  0.661  0.273  1.0
  O  O8  1  0.273  0.777  0.229  1.0
  O  O9  1  0.149  0.339  0.727  1.0
  O  O10  1  0.735  0.148  0.365  1.0
[/CIF]
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The compound described by Ba2MgNdSbO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted SbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-36°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), one Mg(1), one Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OBa2NdMgSb trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Ba(1), one Mg(1), one Nd(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OBa2NdMgSb trigonal bipyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1), one Nd(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_Ba2NdMgSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.089
_cell_length_b   6.740
_cell_length_c   6.471
_cell_angle_alpha   58.960
_cell_angle_beta   57.030
_cell_angle_gamma   53.831
_symmetry_Int_Tables_number   1
_cell_volume   200.573
_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  0.695  0.698  0.732  1.0
  Ba  Ba1  1  0.305  0.302  0.268  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Mg  Mg3  1  0.000  0.000  0.500  1.0
  Sb  Sb4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.727  0.223  0.771  1.0
  O  O6  1  0.265  0.852  0.635  1.0
  O  O7  1  0.851  0.661  0.273  1.0
  O  O8  1  0.273  0.777  0.229  1.0
  O  O9  1  0.149  0.339  0.727  1.0
  O  O10  1  0.735  0.148  0.365  1.0
[/CIF]
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