The structure described by Ba2NdBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent O(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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Nd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2NdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.227
_cell_length_b   6.227
_cell_length_c   6.284
_cell_angle_alpha   60.109
_cell_angle_beta   60.109
_cell_angle_gamma   60.158
_symmetry_Int_Tables_number   1
_cell_volume   172.806
_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  0.248  0.248  0.760  1.0
  Ba  Ba1  1  0.752  0.752  0.240  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.738  0.738  0.689  1.0
  O  O5  1  0.262  0.262  0.311  1.0
  O  O6  1  0.219  0.701  0.802  1.0
  O  O7  1  0.781  0.299  0.198  1.0
  O  O8  1  0.299  0.781  0.198  1.0
  O  O9  1  0.701  0.219  0.802  1.0
[/CIF]
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The structure described by Ba2NdBiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 5-coordinate geometry to three equivalent O(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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-23°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1), one Nd(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_Ba2NdBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.227
_cell_length_b   6.227
_cell_length_c   6.284
_cell_angle_alpha   60.109
_cell_angle_beta   60.109
_cell_angle_gamma   60.158
_symmetry_Int_Tables_number   1
_cell_volume   172.806
_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  0.248  0.248  0.760  1.0
  Ba  Ba1  1  0.752  0.752  0.240  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.738  0.738  0.689  1.0
  O  O5  1  0.262  0.262  0.311  1.0
  O  O6  1  0.219  0.701  0.802  1.0
  O  O7  1  0.781  0.299  0.198  1.0
  O  O8  1  0.299  0.781  0.198  1.0
  O  O9  1  0.701  0.219  0.802  1.0
[/CIF]
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