The crystal structure described by NaNbWO6 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a hexagonal planar geometry to two equivalent O(3) and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one W(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NaNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   7.427
_cell_length_c   7.427
_cell_angle_alpha   120.128
_cell_angle_beta   119.885
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   289.657
_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
  Na  Na0  1  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.000  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.000  0.500  1.0
  W  W5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.317  0.066  0.624  1.0
  O  O7  1  0.317  0.693  0.251  1.0
  O  O8  1  0.307  0.057  0.250  1.0
  O  O9  1  0.941  0.693  0.876  1.0
  O  O10  1  0.941  0.066  0.249  1.0
  O  O11  1  0.929  0.679  0.250  1.0
  O  O12  1  0.683  0.934  0.376  1.0
  O  O13  1  0.683  0.307  0.749  1.0
  O  O14  1  0.693  0.943  0.750  1.0
  O  O15  1  0.059  0.307  0.124  1.0
  O  O16  1  0.059  0.934  0.751  1.0
  O  O17  1  0.071  0.321  0.750  1.0
[/CIF]
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The crystal structure described by NaNbWO6 crystallizes in the orthorhombic Imma space group. Na(1) is bonded in a hexagonal planar geometry to two equivalent O(3) and four equivalent O(1) atoms. Nb(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-39°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one W(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_NaNbWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.427
_cell_length_b   7.427
_cell_length_c   7.427
_cell_angle_alpha   120.128
_cell_angle_beta   119.885
_cell_angle_gamma   89.989
_symmetry_Int_Tables_number   1
_cell_volume   289.657
_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
  Na  Na0  1  0.000  0.500  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Nb  Nb2  1  0.000  0.500  0.000  1.0
  Nb  Nb3  1  0.000  0.000  0.500  1.0
  W  W4  1  0.500  0.000  0.500  1.0
  W  W5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.317  0.066  0.624  1.0
  O  O7  1  0.317  0.693  0.251  1.0
  O  O8  1  0.307  0.057  0.250  1.0
  O  O9  1  0.941  0.693  0.876  1.0
  O  O10  1  0.941  0.066  0.249  1.0
  O  O11  1  0.929  0.679  0.250  1.0
  O  O12  1  0.683  0.934  0.376  1.0
  O  O13  1  0.683  0.307  0.749  1.0
  O  O14  1  0.693  0.943  0.750  1.0
  O  O15  1  0.059  0.307  0.124  1.0
  O  O16  1  0.059  0.934  0.751  1.0
  O  O17  1  0.071  0.321  0.750  1.0
[/CIF]
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