The compound described by BaWO4 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   4.197
_cell_length_c   7.841
_cell_angle_alpha   75.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.855
_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  0.250  0.822  0.323  1.0
  Ba  Ba1  1  0.750  0.178  0.677  1.0
  W  W2  1  0.750  0.353  0.177  1.0
  W  W3  1  0.250  0.647  0.823  1.0
  O  O4  1  0.472  0.683  0.649  1.0
  O  O5  1  0.528  0.317  0.351  1.0
  O  O6  1  0.028  0.683  0.649  1.0
  O  O7  1  0.250  0.081  0.837  1.0
  O  O8  1  0.972  0.317  0.351  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.750  0.919  0.163  1.0
  O  O11  1  0.000  0.500  0.000  1.0
[/CIF]
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The compound described by BaWO4 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Ba(1) and one W(1) atom to form a mixture of distorted corner and edge-sharing OBa3W tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.903
_cell_length_b   4.197
_cell_length_c   7.841
_cell_angle_alpha   75.247
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.855
_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  0.250  0.822  0.323  1.0
  Ba  Ba1  1  0.750  0.178  0.677  1.0
  W  W2  1  0.750  0.353  0.177  1.0
  W  W3  1  0.250  0.647  0.823  1.0
  O  O4  1  0.472  0.683  0.649  1.0
  O  O5  1  0.528  0.317  0.351  1.0
  O  O6  1  0.028  0.683  0.649  1.0
  O  O7  1  0.250  0.081  0.837  1.0
  O  O8  1  0.972  0.317  0.351  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.750  0.919  0.163  1.0
  O  O11  1  0.000  0.500  0.000  1.0
[/CIF]
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