The material structure described by Ba2PrSnO6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Pr(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Ba2PrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.219
_cell_length_c   6.219
_cell_angle_alpha   60.063
_cell_angle_beta   60.063
_cell_angle_gamma   60.063
_symmetry_Int_Tables_number   1
_cell_volume   170.317
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Pr  Pr2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.261  0.210  0.765  1.0
  O  O5  1  0.210  0.765  0.261  1.0
  O  O6  1  0.765  0.261  0.210  1.0
  O  O7  1  0.739  0.790  0.235  1.0
  O  O8  1  0.790  0.235  0.739  1.0
  O  O9  1  0.235  0.739  0.790  1.0
[/CIF]
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The material structure described by Ba2PrSnO6 crystallizes in the trigonal R-3 space group. Ba(1) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Pr(1)O6 octahedra, and faces with four equivalent Sn(1)O6 octahedra. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. Sn(1) is bonded to six equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Pr(1), and one Sn(1) atom. is represented by the CIF card [CIF]
data_Ba2PrSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.219
_cell_length_b   6.219
_cell_length_c   6.219
_cell_angle_alpha   60.063
_cell_angle_beta   60.063
_cell_angle_gamma   60.063
_symmetry_Int_Tables_number   1
_cell_volume   170.317
_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  0.750  0.750  0.750  1.0
  Ba  Ba1  1  0.250  0.250  0.250  1.0
  Pr  Pr2  1  0.500  0.500  0.500  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.261  0.210  0.765  1.0
  O  O5  1  0.210  0.765  0.261  1.0
  O  O6  1  0.765  0.261  0.210  1.0
  O  O7  1  0.739  0.790  0.235  1.0
  O  O8  1  0.790  0.235  0.739  1.0
  O  O9  1  0.235  0.739  0.790  1.0
[/CIF]
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