The structure described by Ba2SmWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sm(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2SmWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.626
_cell_length_b   8.626
_cell_length_c   8.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.807
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Sm  Sm8  1  0.750  0.750  0.750  1.0
  Sm  Sm9  1  0.750  0.250  0.250  1.0
  Sm  Sm10  1  0.250  0.750  0.250  1.0
  Sm  Sm11  1  0.250  0.250  0.750  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.250  0.750  0.750  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.233  0.263  0.483  1.0
  O  O17  1  0.233  0.737  0.517  1.0
  O  O18  1  0.767  0.263  0.517  1.0
  O  O19  1  0.767  0.737  0.483  1.0
  O  O20  1  0.263  0.483  0.233  1.0
  O  O21  1  0.737  0.517  0.233  1.0
  O  O22  1  0.263  0.517  0.767  1.0
  O  O23  1  0.737  0.483  0.767  1.0
  O  O24  1  0.483  0.233  0.263  1.0
  O  O25  1  0.517  0.233  0.737  1.0
  O  O26  1  0.517  0.767  0.263  1.0
  O  O27  1  0.483  0.767  0.737  1.0
  O  O28  1  0.267  0.237  0.017  1.0
  O  O29  1  0.267  0.763  0.983  1.0
  O  O30  1  0.733  0.237  0.983  1.0
  O  O31  1  0.733  0.763  0.017  1.0
  O  O32  1  0.237  0.017  0.267  1.0
  O  O33  1  0.763  0.983  0.267  1.0
  O  O34  1  0.237  0.983  0.733  1.0
  O  O35  1  0.763  0.017  0.733  1.0
  O  O36  1  0.017  0.267  0.237  1.0
  O  O37  1  0.983  0.267  0.763  1.0
  O  O38  1  0.983  0.733  0.237  1.0
  O  O39  1  0.017  0.733  0.763  1.0
[/CIF]
.
The structure described by Ba2SmWO6 crystallizes in the cubic Pn-3 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to twelve equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(2)O12 cuboctahedra, faces with six equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. In the second Ba site, Ba(2) is bonded to twelve equivalent O(1) atoms to form distorted BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, corners with eight equivalent Ba(2)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, faces with four equivalent Sm(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Sm(1) is bonded to six equivalent O(1) atoms to form SmO6 octahedra that share corners with six equivalent W(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent Sm(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. O(1) is bonded in a 6-coordinate geometry to one Ba(1), three equivalent Ba(2), one Sm(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2SmWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.626
_cell_length_b   8.626
_cell_length_c   8.626
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   641.807
_cell_formula_units_Z   4
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  0.500  0.500  0.500  1.0
  Ba  Ba1  1  0.000  0.000  0.000  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ba  Ba3  1  0.000  0.500  0.000  1.0
  Ba  Ba4  1  0.500  0.000  0.000  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Ba  Ba6  1  0.500  0.000  0.500  1.0
  Ba  Ba7  1  0.000  0.500  0.500  1.0
  Sm  Sm8  1  0.750  0.750  0.750  1.0
  Sm  Sm9  1  0.750  0.250  0.250  1.0
  Sm  Sm10  1  0.250  0.750  0.250  1.0
  Sm  Sm11  1  0.250  0.250  0.750  1.0
  W  W12  1  0.250  0.250  0.250  1.0
  W  W13  1  0.250  0.750  0.750  1.0
  W  W14  1  0.750  0.250  0.750  1.0
  W  W15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.233  0.263  0.483  1.0
  O  O17  1  0.233  0.737  0.517  1.0
  O  O18  1  0.767  0.263  0.517  1.0
  O  O19  1  0.767  0.737  0.483  1.0
  O  O20  1  0.263  0.483  0.233  1.0
  O  O21  1  0.737  0.517  0.233  1.0
  O  O22  1  0.263  0.517  0.767  1.0
  O  O23  1  0.737  0.483  0.767  1.0
  O  O24  1  0.483  0.233  0.263  1.0
  O  O25  1  0.517  0.233  0.737  1.0
  O  O26  1  0.517  0.767  0.263  1.0
  O  O27  1  0.483  0.767  0.737  1.0
  O  O28  1  0.267  0.237  0.017  1.0
  O  O29  1  0.267  0.763  0.983  1.0
  O  O30  1  0.733  0.237  0.983  1.0
  O  O31  1  0.733  0.763  0.017  1.0
  O  O32  1  0.237  0.017  0.267  1.0
  O  O33  1  0.763  0.983  0.267  1.0
  O  O34  1  0.237  0.983  0.733  1.0
  O  O35  1  0.763  0.017  0.733  1.0
  O  O36  1  0.017  0.267  0.237  1.0
  O  O37  1  0.983  0.267  0.763  1.0
  O  O38  1  0.983  0.733  0.237  1.0
  O  O39  1  0.017  0.733  0.763  1.0
[/CIF]
.