The material described by BaWO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one W(1) atom. is represented by the CIF card [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.553
_cell_length_b   7.553
_cell_length_c   5.708
_cell_angle_alpha   67.779
_cell_angle_beta   67.779
_cell_angle_gamma   114.883
_symmetry_Int_Tables_number   1
_cell_volume   210.172
_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  0.874  0.126  0.750  1.0
  Ba  Ba1  1  0.126  0.874  0.250  1.0
  W  W2  1  0.379  0.621  0.750  1.0
  W  W3  1  0.621  0.379  0.250  1.0
  O  O4  1  0.568  0.165  0.610  1.0
  O  O5  1  0.835  0.432  0.890  1.0
  O  O6  1  0.432  0.835  0.390  1.0
  O  O7  1  0.165  0.568  0.110  1.0
  O  O8  1  0.231  0.317  0.835  1.0
  O  O9  1  0.683  0.769  0.665  1.0
  O  O10  1  0.769  0.683  0.165  1.0
  O  O11  1  0.317  0.231  0.335  1.0
[/CIF]
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The material described by BaWO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. W(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one W(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one W(1) atom. is represented by the CIF card [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.553
_cell_length_b   7.553
_cell_length_c   5.708
_cell_angle_alpha   67.779
_cell_angle_beta   67.779
_cell_angle_gamma   114.883
_symmetry_Int_Tables_number   1
_cell_volume   210.172
_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  0.874  0.126  0.750  1.0
  Ba  Ba1  1  0.126  0.874  0.250  1.0
  W  W2  1  0.379  0.621  0.750  1.0
  W  W3  1  0.621  0.379  0.250  1.0
  O  O4  1  0.568  0.165  0.610  1.0
  O  O5  1  0.835  0.432  0.890  1.0
  O  O6  1  0.432  0.835  0.390  1.0
  O  O7  1  0.165  0.568  0.110  1.0
  O  O8  1  0.231  0.317  0.835  1.0
  O  O9  1  0.683  0.769  0.665  1.0
  O  O10  1  0.769  0.683  0.165  1.0
  O  O11  1  0.317  0.231  0.335  1.0
[/CIF]
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