The material structure described by Ba2TbWO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Tb(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2TbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   6.085
_cell_angle_alpha   59.671
_cell_angle_beta   59.671
_cell_angle_gamma   60.574
_symmetry_Int_Tables_number   1
_cell_volume   156.336
_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  0.249  0.249  0.256  1.0
  Ba  Ba1  1  0.751  0.751  0.744  1.0
  Tb  Tb2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.769  0.769  0.202  1.0
  O  O5  1  0.231  0.231  0.798  1.0
  O  O6  1  0.745  0.221  0.255  1.0
  O  O7  1  0.255  0.779  0.745  1.0
  O  O8  1  0.779  0.255  0.745  1.0
  O  O9  1  0.221  0.745  0.255  1.0
[/CIF]
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The material structure described by Ba2TbWO6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Tb(1)O6 octahedra, and faces with four equivalent W(1)O6 octahedra. Tb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with six equivalent W(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra and faces with eight equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 8-10°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Tb(1), and one W(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Tb(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Ba2TbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   6.085
_cell_angle_alpha   59.671
_cell_angle_beta   59.671
_cell_angle_gamma   60.574
_symmetry_Int_Tables_number   1
_cell_volume   156.336
_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  0.249  0.249  0.256  1.0
  Ba  Ba1  1  0.751  0.751  0.744  1.0
  Tb  Tb2  1  0.500  0.500  0.500  1.0
  W  W3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.769  0.769  0.202  1.0
  O  O5  1  0.231  0.231  0.798  1.0
  O  O6  1  0.745  0.221  0.255  1.0
  O  O7  1  0.255  0.779  0.745  1.0
  O  O8  1  0.779  0.255  0.745  1.0
  O  O9  1  0.221  0.745  0.255  1.0
[/CIF]
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