The material structure described by Ba(WO3)6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 15-coordinate geometry to one O(2), one O(3), one O(9), two equivalent O(1), two equivalent O(12), two equivalent O(13), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second W site, W(2) is bonded to one O(1), one O(13), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-32°. In the third W site, W(3) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. There are thirteen inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to two equivalent W(2) atoms. In the second O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the third O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one W(2), and one W(3) atom. In the fourth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one W(1), and one W(3) atom. In the fifth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the sixth O site, O(9) is bonded in a distorted linear geometry to one Ba(1) and two equivalent W(3) atoms. In the seventh O site, O(10) is bonded in a linear geometry to two equivalent W(3) atoms. In the eighth O site, O(11) is bonded in a bent 150 degrees geometry to one W(1) and one W(3) atom. In the ninth O site, O(12) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent W(1) atoms. In the tenth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one W(1), and one W(2) atom. In the eleventh O site, O(13) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the twelfth O site, O(2) is bonded in a distorted linear geometry to one Ba(1) and two equivalent W(1) atoms. In the thirteenth O site, O(3) is bonded in a linear geometry to one Ba(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ba(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.741
_cell_length_b   10.741
_cell_length_c   8.858
_cell_angle_alpha   89.984
_cell_angle_beta   89.984
_cell_angle_gamma   41.688
_symmetry_Int_Tables_number   1
_cell_volume   679.735
_cell_formula_units_Z   2
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  0.873  0.873  0.086  1.0
  Ba  Ba1  1  0.127  0.127  0.914  1.0
  W  W2  1  0.469  0.969  0.207  1.0
  W  W3  1  0.285  0.779  0.205  1.0
  W  W4  1  0.969  0.469  0.207  1.0
  W  W5  1  0.779  0.285  0.205  1.0
  W  W6  1  0.127  0.624  0.434  1.0
  W  W7  1  0.624  0.127  0.434  1.0
  W  W8  1  0.873  0.376  0.566  1.0
  W  W9  1  0.376  0.873  0.566  1.0
  W  W10  1  0.221  0.715  0.795  1.0
  W  W11  1  0.531  0.031  0.793  1.0
  W  W12  1  0.031  0.531  0.793  1.0
  W  W13  1  0.715  0.221  0.795  1.0
  O  O14  1  0.383  0.867  0.146  1.0
  O  O15  1  0.867  0.383  0.146  1.0
  O  O16  1  0.213  0.213  0.196  1.0
  O  O17  1  0.724  0.724  0.204  1.0
  O  O18  1  0.531  0.531  0.217  1.0
  O  O19  1  0.034  0.034  0.181  1.0
  O  O20  1  0.183  0.702  0.277  1.0
  O  O21  1  0.702  0.183  0.277  1.0
  O  O22  1  0.547  0.069  0.277  1.0
  O  O23  1  0.069  0.547  0.277  1.0
  O  O24  1  0.297  0.825  0.409  1.0
  O  O25  1  0.870  0.870  0.420  1.0
  O  O26  1  0.380  0.380  0.436  1.0
  O  O27  1  0.442  0.937  0.410  1.0
  O  O28  1  0.937  0.442  0.410  1.0
  O  O29  1  0.825  0.297  0.409  1.0
  O  O30  1  0.620  0.620  0.564  1.0
  O  O31  1  0.130  0.130  0.580  1.0
  O  O32  1  0.703  0.175  0.591  1.0
  O  O33  1  0.558  0.063  0.590  1.0
  O  O34  1  0.175  0.703  0.591  1.0
  O  O35  1  0.063  0.558  0.590  1.0
  O  O36  1  0.453  0.931  0.723  1.0
  O  O37  1  0.298  0.817  0.723  1.0
  O  O38  1  0.931  0.453  0.723  1.0
  O  O39  1  0.817  0.298  0.723  1.0
  O  O40  1  0.276  0.276  0.796  1.0
  O  O41  1  0.966  0.966  0.819  1.0
  O  O42  1  0.469  0.469  0.783  1.0
  O  O43  1  0.787  0.787  0.804  1.0
  O  O44  1  0.133  0.617  0.854  1.0
  O  O45  1  0.617  0.133  0.854  1.0
  O  O46  1  0.500  0.000  0.000  1.0
  O  O47  1  0.738  0.262  0.000  1.0
  O  O48  1  0.000  0.500  0.000  1.0
  O  O49  1  0.262  0.738  0.000  1.0
[/CIF]
.
The material structure described by Ba(WO3)6 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 15-coordinate geometry to one O(2), one O(3), one O(9), two equivalent O(1), two equivalent O(12), two equivalent O(13), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(3), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-32°. In the second W site, W(2) is bonded to one O(1), one O(13), one O(4), one O(5), one O(6), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 4-32°. In the third W site, W(3) is bonded to one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 6-27°. There are thirteen inequivalent O sites. In the first O site, O(4) is bonded in a linear geometry to two equivalent W(2) atoms. In the second O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the third O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one W(2), and one W(3) atom. In the fourth O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one W(1), and one W(3) atom. In the fifth O site, O(8) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the sixth O site, O(9) is bonded in a distorted linear geometry to one Ba(1) and two equivalent W(3) atoms. In the seventh O site, O(10) is bonded in a linear geometry to two equivalent W(3) atoms. In the eighth O site, O(11) is bonded in a bent 150 degrees geometry to one W(1) and one W(3) atom. In the ninth O site, O(12) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent W(1) atoms. In the tenth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1), one W(1), and one W(2) atom. In the eleventh O site, O(13) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent W(2) atoms. In the twelfth O site, O(2) is bonded in a distorted linear geometry to one Ba(1) and two equivalent W(1) atoms. In the thirteenth O site, O(3) is bonded in a linear geometry to one Ba(1) and two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_Ba(WO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.741
_cell_length_b   10.741
_cell_length_c   8.858
_cell_angle_alpha   89.984
_cell_angle_beta   89.984
_cell_angle_gamma   41.688
_symmetry_Int_Tables_number   1
_cell_volume   679.735
_cell_formula_units_Z   2
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  0.873  0.873  0.086  1.0
  Ba  Ba1  1  0.127  0.127  0.914  1.0
  W  W2  1  0.469  0.969  0.207  1.0
  W  W3  1  0.285  0.779  0.205  1.0
  W  W4  1  0.969  0.469  0.207  1.0
  W  W5  1  0.779  0.285  0.205  1.0
  W  W6  1  0.127  0.624  0.434  1.0
  W  W7  1  0.624  0.127  0.434  1.0
  W  W8  1  0.873  0.376  0.566  1.0
  W  W9  1  0.376  0.873  0.566  1.0
  W  W10  1  0.221  0.715  0.795  1.0
  W  W11  1  0.531  0.031  0.793  1.0
  W  W12  1  0.031  0.531  0.793  1.0
  W  W13  1  0.715  0.221  0.795  1.0
  O  O14  1  0.383  0.867  0.146  1.0
  O  O15  1  0.867  0.383  0.146  1.0
  O  O16  1  0.213  0.213  0.196  1.0
  O  O17  1  0.724  0.724  0.204  1.0
  O  O18  1  0.531  0.531  0.217  1.0
  O  O19  1  0.034  0.034  0.181  1.0
  O  O20  1  0.183  0.702  0.277  1.0
  O  O21  1  0.702  0.183  0.277  1.0
  O  O22  1  0.547  0.069  0.277  1.0
  O  O23  1  0.069  0.547  0.277  1.0
  O  O24  1  0.297  0.825  0.409  1.0
  O  O25  1  0.870  0.870  0.420  1.0
  O  O26  1  0.380  0.380  0.436  1.0
  O  O27  1  0.442  0.937  0.410  1.0
  O  O28  1  0.937  0.442  0.410  1.0
  O  O29  1  0.825  0.297  0.409  1.0
  O  O30  1  0.620  0.620  0.564  1.0
  O  O31  1  0.130  0.130  0.580  1.0
  O  O32  1  0.703  0.175  0.591  1.0
  O  O33  1  0.558  0.063  0.590  1.0
  O  O34  1  0.175  0.703  0.591  1.0
  O  O35  1  0.063  0.558  0.590  1.0
  O  O36  1  0.453  0.931  0.723  1.0
  O  O37  1  0.298  0.817  0.723  1.0
  O  O38  1  0.931  0.453  0.723  1.0
  O  O39  1  0.817  0.298  0.723  1.0
  O  O40  1  0.276  0.276  0.796  1.0
  O  O41  1  0.966  0.966  0.819  1.0
  O  O42  1  0.469  0.469  0.783  1.0
  O  O43  1  0.787  0.787  0.804  1.0
  O  O44  1  0.133  0.617  0.854  1.0
  O  O45  1  0.617  0.133  0.854  1.0
  O  O46  1  0.500  0.000  0.000  1.0
  O  O47  1  0.738  0.262  0.000  1.0
  O  O48  1  0.000  0.500  0.000  1.0
  O  O49  1  0.262  0.738  0.000  1.0
[/CIF]
.