The compound described by Na2(WO3)3 crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with nine equivalent Na(1)O12 cuboctahedra, faces with three equivalent Na(1)O12 cuboctahedra, faces with three equivalent W(1)O6 octahedra, and faces with five equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(2)O6 octahedra and faces with six equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and faces with five equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), one W(1), and one W(2) atom to form a mixture of distorted edge, corner, and face-sharing ONa3W2 square pyramids. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent W(2) atoms. is represented by the CIF file [CIF]
data_Na2(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.559
_cell_length_c   6.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.105
_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
  Na  Na0  1  0.667  0.333  0.332  1.0
  Na  Na1  1  0.333  0.667  0.668  1.0
  W  W2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.667  0.333  0.838  1.0
  W  W4  1  0.333  0.667  0.162  1.0
  O  O5  1  0.833  0.167  0.662  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.167  0.833  0.338  1.0
  O  O8  1  0.665  0.833  0.338  1.0
  O  O9  1  0.335  0.167  0.662  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.833  0.665  0.662  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  0.167  0.335  0.338  1.0
[/CIF]
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The compound described by Na2(WO3)3 crystallizes in the trigonal P-3m1 space group. Na(1) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with nine equivalent Na(1)O12 cuboctahedra, faces with three equivalent Na(1)O12 cuboctahedra, faces with three equivalent W(1)O6 octahedra, and faces with five equivalent W(2)O6 octahedra. There are two inequivalent W sites. In the first W site, W(1) is bonded to six equivalent O(1) atoms to form WO6 octahedra that share corners with six equivalent W(2)O6 octahedra and faces with six equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. In the second W site, W(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form WO6 octahedra that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent W(2)O6 octahedra, and faces with five equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1), one W(1), and one W(2) atom to form a mixture of distorted edge, corner, and face-sharing ONa3W2 square pyramids. In the second O site, O(2) is bonded in a distorted square co-planar geometry to two equivalent Na(1) and two equivalent W(2) atoms. is represented by the CIF file [CIF]
data_Na2(WO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.559
_cell_length_b   5.559
_cell_length_c   6.805
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.105
_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
  Na  Na0  1  0.667  0.333  0.332  1.0
  Na  Na1  1  0.333  0.667  0.668  1.0
  W  W2  1  0.000  0.000  0.500  1.0
  W  W3  1  0.667  0.333  0.838  1.0
  W  W4  1  0.333  0.667  0.162  1.0
  O  O5  1  0.833  0.167  0.662  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.167  0.833  0.338  1.0
  O  O8  1  0.665  0.833  0.338  1.0
  O  O9  1  0.335  0.167  0.662  1.0
  O  O10  1  0.000  0.500  0.000  1.0
  O  O11  1  0.833  0.665  0.662  1.0
  O  O12  1  0.500  0.000  0.000  1.0
  O  O13  1  0.167  0.335  0.338  1.0
[/CIF]
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