The compound described by BaWO4 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded to three equivalent Ba(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OBa3W tetrahedra. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.760
_cell_length_b   7.760
_cell_length_c   6.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.019
_symmetry_Int_Tables_number   1
_cell_volume   182.106
_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  0.152  0.848  0.250  1.0
  Ba  Ba1  1  0.848  0.152  0.750  1.0
  W  W2  1  0.410  0.590  0.250  1.0
  W  W3  1  0.590  0.410  0.750  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.678  0.322  0.966  1.0
  O  O6  1  0.079  0.921  0.750  1.0
  O  O7  1  0.921  0.079  0.250  1.0
  O  O8  1  0.678  0.322  0.534  1.0
  O  O9  1  0.322  0.678  0.034  1.0
  O  O10  1  0.322  0.678  0.466  1.0
  O  O11  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by BaWO4 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(2) atoms. W(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent W(1) atoms. In the second O site, O(2) is bonded to three equivalent Ba(1) and one W(1) atom to form a mixture of distorted edge and corner-sharing OBa3W tetrahedra. In the third O site, O(3) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the CIF file [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.760
_cell_length_b   7.760
_cell_length_c   6.052
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   150.019
_symmetry_Int_Tables_number   1
_cell_volume   182.106
_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  0.152  0.848  0.250  1.0
  Ba  Ba1  1  0.848  0.152  0.750  1.0
  W  W2  1  0.410  0.590  0.250  1.0
  W  W3  1  0.590  0.410  0.750  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.678  0.322  0.966  1.0
  O  O6  1  0.079  0.921  0.750  1.0
  O  O7  1  0.921  0.079  0.250  1.0
  O  O8  1  0.678  0.322  0.534  1.0
  O  O9  1  0.322  0.678  0.034  1.0
  O  O10  1  0.322  0.678  0.466  1.0
  O  O11  1  0.500  0.500  0.000  1.0
[/CIF]
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