The material described by W4O9 crystallizes in the tetragonal P4/m space group. W(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a T-shaped geometry to three equivalent W(1) atoms. In the second O site, O(1) is bonded in a square co-planar geometry to four equivalent W(1) atoms. In the third O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   6.854
_cell_length_c   3.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.821
_cell_formula_units_Z   1
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
  W  W0  1  0.697  0.871  0.500  1.0
  W  W1  1  0.871  0.303  0.500  1.0
  W  W2  1  0.303  0.129  0.500  1.0
  W  W3  1  0.129  0.697  0.500  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.133  0.699  0.000  1.0
  O  O6  1  0.301  0.133  0.000  1.0
  O  O7  1  0.699  0.867  0.000  1.0
  O  O8  1  0.867  0.301  0.000  1.0
  O  O9  1  0.160  0.394  0.500  1.0
  O  O10  1  0.606  0.160  0.500  1.0
  O  O11  1  0.394  0.840  0.500  1.0
  O  O12  1  0.840  0.606  0.500  1.0
[/CIF]
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The material described by W4O9 crystallizes in the tetragonal P4/m space group. W(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 0-23°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a T-shaped geometry to three equivalent W(1) atoms. In the second O site, O(1) is bonded in a square co-planar geometry to four equivalent W(1) atoms. In the third O site, O(2) is bonded in a linear geometry to two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W4O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.854
_cell_length_b   6.854
_cell_length_c   3.870
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   181.821
_cell_formula_units_Z   1
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
  W  W0  1  0.697  0.871  0.500  1.0
  W  W1  1  0.871  0.303  0.500  1.0
  W  W2  1  0.303  0.129  0.500  1.0
  W  W3  1  0.129  0.697  0.500  1.0
  O  O4  1  0.000  0.000  0.500  1.0
  O  O5  1  0.133  0.699  0.000  1.0
  O  O6  1  0.301  0.133  0.000  1.0
  O  O7  1  0.699  0.867  0.000  1.0
  O  O8  1  0.867  0.301  0.000  1.0
  O  O9  1  0.160  0.394  0.500  1.0
  O  O10  1  0.606  0.160  0.500  1.0
  O  O11  1  0.394  0.840  0.500  1.0
  O  O12  1  0.840  0.606  0.500  1.0
[/CIF]
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