The material described by Bi2WO6 crystallizes in the orthorhombic Pca2_1 space group. W(1) is bonded to one O(1), one O(4), 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 20-29°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Bi(2) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent W(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Bi(1) atoms. In the sixth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.475
_cell_length_c   16.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.178
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.022  0.015  0.923  1.0
  Bi  Bi1  1  0.978  0.515  0.077  1.0
  Bi  Bi2  1  0.478  0.515  0.923  1.0
  Bi  Bi3  1  0.522  0.015  0.077  1.0
  Bi  Bi4  1  0.977  0.028  0.577  1.0
  Bi  Bi5  1  0.023  0.528  0.423  1.0
  Bi  Bi6  1  0.523  0.528  0.577  1.0
  Bi  Bi7  1  0.477  0.028  0.423  1.0
  W  W8  1  0.496  0.991  0.750  1.0
  W  W9  1  0.504  0.491  0.250  1.0
  W  W10  1  0.004  0.491  0.750  1.0
  W  W11  1  0.996  0.991  0.250  1.0
  O  O12  1  0.921  0.428  0.643  1.0
  O  O13  1  0.079  0.928  0.357  1.0
  O  O14  1  0.579  0.928  0.643  1.0
  O  O15  1  0.421  0.428  0.357  1.0
  O  O16  1  0.274  0.674  0.730  1.0
  O  O17  1  0.726  0.174  0.270  1.0
  O  O18  1  0.226  0.174  0.730  1.0
  O  O19  1  0.774  0.674  0.270  1.0
  O  O20  1  0.785  0.731  0.770  1.0
  O  O21  1  0.215  0.231  0.230  1.0
  O  O22  1  0.715  0.231  0.770  1.0
  O  O23  1  0.285  0.731  0.230  1.0
  O  O24  1  0.926  0.914  0.142  1.0
  O  O25  1  0.074  0.414  0.858  1.0
  O  O26  1  0.574  0.414  0.142  1.0
  O  O27  1  0.426  0.914  0.858  1.0
  O  O28  1  0.738  0.736  0.999  1.0
  O  O29  1  0.262  0.236  0.001  1.0
  O  O30  1  0.762  0.236  0.999  1.0
  O  O31  1  0.238  0.736  0.001  1.0
  O  O32  1  0.762  0.750  0.499  1.0
  O  O33  1  0.238  0.250  0.501  1.0
  O  O34  1  0.738  0.250  0.499  1.0
  O  O35  1  0.262  0.750  0.501  1.0
[/CIF]
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The material described by Bi2WO6 crystallizes in the orthorhombic Pca2_1 space group. W(1) is bonded to one O(1), one O(4), 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 20-29°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Bi(2) atoms. In the third O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent W(1) atoms. In the fifth O site, O(4) is bonded in a distorted trigonal planar geometry to one W(1) and two equivalent Bi(1) atoms. In the sixth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing OBi4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Bi2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.475
_cell_length_c   16.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.178
_cell_formula_units_Z   4
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
  Bi  Bi0  1  0.022  0.015  0.923  1.0
  Bi  Bi1  1  0.978  0.515  0.077  1.0
  Bi  Bi2  1  0.478  0.515  0.923  1.0
  Bi  Bi3  1  0.522  0.015  0.077  1.0
  Bi  Bi4  1  0.977  0.028  0.577  1.0
  Bi  Bi5  1  0.023  0.528  0.423  1.0
  Bi  Bi6  1  0.523  0.528  0.577  1.0
  Bi  Bi7  1  0.477  0.028  0.423  1.0
  W  W8  1  0.496  0.991  0.750  1.0
  W  W9  1  0.504  0.491  0.250  1.0
  W  W10  1  0.004  0.491  0.750  1.0
  W  W11  1  0.996  0.991  0.250  1.0
  O  O12  1  0.921  0.428  0.643  1.0
  O  O13  1  0.079  0.928  0.357  1.0
  O  O14  1  0.579  0.928  0.643  1.0
  O  O15  1  0.421  0.428  0.357  1.0
  O  O16  1  0.274  0.674  0.730  1.0
  O  O17  1  0.726  0.174  0.270  1.0
  O  O18  1  0.226  0.174  0.730  1.0
  O  O19  1  0.774  0.674  0.270  1.0
  O  O20  1  0.785  0.731  0.770  1.0
  O  O21  1  0.215  0.231  0.230  1.0
  O  O22  1  0.715  0.231  0.770  1.0
  O  O23  1  0.285  0.731  0.230  1.0
  O  O24  1  0.926  0.914  0.142  1.0
  O  O25  1  0.074  0.414  0.858  1.0
  O  O26  1  0.574  0.414  0.142  1.0
  O  O27  1  0.426  0.914  0.858  1.0
  O  O28  1  0.738  0.736  0.999  1.0
  O  O29  1  0.262  0.236  0.001  1.0
  O  O30  1  0.762  0.236  0.999  1.0
  O  O31  1  0.238  0.736  0.001  1.0
  O  O32  1  0.762  0.750  0.499  1.0
  O  O33  1  0.238  0.250  0.501  1.0
  O  O34  1  0.738  0.250  0.499  1.0
  O  O35  1  0.262  0.750  0.501  1.0
[/CIF]
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