The compound described by BaWO4 is Zircon-like structured and crystallizes in the tetragonal I4_1 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 Crystallographic Information File (CIF) [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   135.827
_cell_angle_beta   135.827
_cell_angle_gamma   64.248
_symmetry_Int_Tables_number   1
_cell_volume   212.615
_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  0.750  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.755  0.255  0.500  1.0
  W  W3  1  0.005  0.005  0.000  1.0
  O  O4  1  0.155  0.049  0.359  1.0
  O  O5  1  0.690  0.797  0.641  1.0
  O  O6  1  0.060  0.453  0.859  1.0
  O  O7  1  0.547  0.405  0.606  1.0
  O  O8  1  0.203  0.845  0.894  1.0
  O  O9  1  0.951  0.310  0.106  1.0
  O  O10  1  0.799  0.940  0.394  1.0
  O  O11  1  0.595  0.201  0.141  1.0
[/CIF]
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The compound described by BaWO4 is Zircon-like structured and crystallizes in the tetragonal I4_1 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 Crystallographic Information File (CIF) [CIF]
data_BaWO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.628
_cell_length_b   7.628
_cell_length_c   7.628
_cell_angle_alpha   135.827
_cell_angle_beta   135.827
_cell_angle_gamma   64.248
_symmetry_Int_Tables_number   1
_cell_volume   212.615
_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  0.750  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  W  W2  1  0.755  0.255  0.500  1.0
  W  W3  1  0.005  0.005  0.000  1.0
  O  O4  1  0.155  0.049  0.359  1.0
  O  O5  1  0.690  0.797  0.641  1.0
  O  O6  1  0.060  0.453  0.859  1.0
  O  O7  1  0.547  0.405  0.606  1.0
  O  O8  1  0.203  0.845  0.894  1.0
  O  O9  1  0.951  0.310  0.106  1.0
  O  O10  1  0.799  0.940  0.394  1.0
  O  O11  1  0.595  0.201  0.141  1.0
[/CIF]
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