The compound described by NaNbWO7 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Nb(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with four equivalent Na(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-43°. W(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Na(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Na(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one W(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.441
_cell_length_b   7.441
_cell_length_c   7.441
_cell_angle_alpha   119.573
_cell_angle_beta   119.515
_cell_angle_gamma   90.792
_symmetry_Int_Tables_number   1
_cell_volume   293.325
_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  0.619  0.369  0.250  1.0
  O  O7  1  0.381  0.631  0.750  1.0
  O  O8  1  0.316  0.062  0.621  1.0
  O  O9  1  0.316  0.694  0.254  1.0
  O  O10  1  0.307  0.057  0.250  1.0
  O  O11  1  0.941  0.694  0.879  1.0
  O  O12  1  0.941  0.062  0.246  1.0
  O  O13  1  0.930  0.680  0.250  1.0
  O  O14  1  0.684  0.938  0.379  1.0
  O  O15  1  0.684  0.306  0.746  1.0
  O  O16  1  0.693  0.943  0.750  1.0
  O  O17  1  0.059  0.306  0.121  1.0
  O  O18  1  0.059  0.938  0.754  1.0
  O  O19  1  0.070  0.320  0.750  1.0
[/CIF]
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The compound described by NaNbWO7 crystallizes in the orthorhombic Imma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(2) atoms to form distorted NaO8 hexagonal bipyramids that share edges with two equivalent Na(1)O8 hexagonal bipyramids, edges with two equivalent W(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. Nb(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and edges with four equivalent Na(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 38-43°. W(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent W(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Na(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 35-38°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Na(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Nb(1), and one W(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent W(1) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1) and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaNbWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.441
_cell_length_b   7.441
_cell_length_c   7.441
_cell_angle_alpha   119.573
_cell_angle_beta   119.515
_cell_angle_gamma   90.792
_symmetry_Int_Tables_number   1
_cell_volume   293.325
_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  0.619  0.369  0.250  1.0
  O  O7  1  0.381  0.631  0.750  1.0
  O  O8  1  0.316  0.062  0.621  1.0
  O  O9  1  0.316  0.694  0.254  1.0
  O  O10  1  0.307  0.057  0.250  1.0
  O  O11  1  0.941  0.694  0.879  1.0
  O  O12  1  0.941  0.062  0.246  1.0
  O  O13  1  0.930  0.680  0.250  1.0
  O  O14  1  0.684  0.938  0.379  1.0
  O  O15  1  0.684  0.306  0.746  1.0
  O  O16  1  0.693  0.943  0.750  1.0
  O  O17  1  0.059  0.306  0.121  1.0
  O  O18  1  0.059  0.938  0.754  1.0
  O  O19  1  0.070  0.320  0.750  1.0
[/CIF]
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