The structure described by Ba3WO6 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form BaO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. In the sixth Ba site, Ba(6) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form BaO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-24°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ba(6)O6 octahedra and corners with four equivalent Ba(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. In the second W site, W(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Ba(5)O6 octahedra and corners with four equivalent Ba(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-29°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(6), two equivalent Ba(3), and one W(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(4), one Ba(6), and one W(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(3), one Ba(5), and one W(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(6), and one W(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(2), and one W(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), and one W(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(6), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   6.623
_cell_length_c   8.951
_cell_angle_alpha   87.450
_cell_angle_beta   89.930
_cell_angle_gamma   89.874
_symmetry_Int_Tables_number   1
_cell_volume   365.003
_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  0.488  0.402  0.954  1.0
  Ba  Ba1  1  0.004  0.994  0.478  1.0
  Ba  Ba2  1  0.990  0.032  0.006  1.0
  Ba  Ba3  1  0.498  0.430  0.491  1.0
  Ba  Ba4  1  0.994  0.508  0.230  1.0
  Ba  Ba5  1  0.491  0.921  0.738  1.0
  W  W6  1  0.497  0.991  0.241  1.0
  W  W7  1  0.990  0.435  0.725  1.0
  O  O8  1  0.473  0.992  0.022  1.0
  O  O9  1  0.746  0.618  0.730  1.0
  O  O10  1  0.341  0.739  0.269  1.0
  O  O11  1  0.220  0.224  0.726  1.0
  O  O12  1  0.036  0.444  0.944  1.0
  O  O13  1  0.945  0.393  0.510  1.0
  O  O14  1  0.777  0.211  0.768  1.0
  O  O15  1  0.513  0.029  0.456  1.0
  O  O16  1  0.660  0.255  0.210  1.0
  O  O17  1  0.202  0.643  0.679  1.0
  O  O18  1  0.222  0.154  0.240  1.0
  O  O19  1  0.779  0.853  0.243  1.0
[/CIF]
.
The structure described by Ba3WO6 is Orthorhombic Perovskite-like structured and crystallizes in the triclinic P1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(12), one O(3), one O(4), one O(6), one O(7), and two equivalent O(8) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(11), one O(12), one O(4), one O(5), one O(7), one O(9), and two equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded in a 7-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(6), one O(8), and one O(9) atom. In the fifth Ba site, Ba(5) is bonded to one O(11), one O(12), one O(3), one O(5), one O(6), and one O(9) atom to form BaO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-32°. In the sixth Ba site, Ba(6) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form BaO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-24°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(3), one O(8), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Ba(6)O6 octahedra and corners with four equivalent Ba(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-32°. In the second W site, W(2) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form WO6 octahedra that share corners with two equivalent Ba(5)O6 octahedra and corners with four equivalent Ba(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-29°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(6), two equivalent Ba(3), and one W(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(4), one Ba(6), and one W(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one W(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(4), one Ba(6), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Ba(3), one Ba(5), and one W(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(5), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(6), and one W(2) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(4), one Ba(6), two equivalent Ba(2), and one W(1) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), one Ba(4), one Ba(5), and one W(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(4), one Ba(6), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one Ba(2), one Ba(3), one Ba(5), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.163
_cell_length_b   6.623
_cell_length_c   8.951
_cell_angle_alpha   87.450
_cell_angle_beta   89.930
_cell_angle_gamma   89.874
_symmetry_Int_Tables_number   1
_cell_volume   365.003
_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  0.488  0.402  0.954  1.0
  Ba  Ba1  1  0.004  0.994  0.478  1.0
  Ba  Ba2  1  0.990  0.032  0.006  1.0
  Ba  Ba3  1  0.498  0.430  0.491  1.0
  Ba  Ba4  1  0.994  0.508  0.230  1.0
  Ba  Ba5  1  0.491  0.921  0.738  1.0
  W  W6  1  0.497  0.991  0.241  1.0
  W  W7  1  0.990  0.435  0.725  1.0
  O  O8  1  0.473  0.992  0.022  1.0
  O  O9  1  0.746  0.618  0.730  1.0
  O  O10  1  0.341  0.739  0.269  1.0
  O  O11  1  0.220  0.224  0.726  1.0
  O  O12  1  0.036  0.444  0.944  1.0
  O  O13  1  0.945  0.393  0.510  1.0
  O  O14  1  0.777  0.211  0.768  1.0
  O  O15  1  0.513  0.029  0.456  1.0
  O  O16  1  0.660  0.255  0.210  1.0
  O  O17  1  0.202  0.643  0.679  1.0
  O  O18  1  0.222  0.154  0.240  1.0
  O  O19  1  0.779  0.853  0.243  1.0
[/CIF]
.