The compound described by NaTaWO6 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. Ta(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. 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 Ta(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 Ta(1) atoms. is represented by the CIF card [CIF]
data_NaTaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.407
_cell_length_b   7.407
_cell_length_c   7.407
_cell_angle_alpha   120.234
_cell_angle_beta   119.814
_cell_angle_gamma   89.959
_symmetry_Int_Tables_number   1
_cell_volume   287.188
_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
  Ta  Ta2  1  0.000  0.500  0.000  1.0
  Ta  Ta3  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  0.316  0.066  0.624  1.0
  O  O7  1  0.316  0.692  0.249  1.0
  O  O8  1  0.308  0.058  0.250  1.0
  O  O9  1  0.942  0.692  0.876  1.0
  O  O10  1  0.942  0.066  0.251  1.0
  O  O11  1  0.930  0.680  0.250  1.0
  O  O12  1  0.684  0.934  0.376  1.0
  O  O13  1  0.684  0.308  0.751  1.0
  O  O14  1  0.692  0.942  0.750  1.0
  O  O15  1  0.058  0.308  0.124  1.0
  O  O16  1  0.058  0.934  0.749  1.0
  O  O17  1  0.070  0.320  0.750  1.0
[/CIF]
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The compound described by NaTaWO6 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. Ta(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-43°. 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 Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-39°. 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 Ta(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 Ta(1) atoms. is represented by the CIF card [CIF]
data_NaTaWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.407
_cell_length_b   7.407
_cell_length_c   7.407
_cell_angle_alpha   120.234
_cell_angle_beta   119.814
_cell_angle_gamma   89.959
_symmetry_Int_Tables_number   1
_cell_volume   287.188
_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
  Ta  Ta2  1  0.000  0.500  0.000  1.0
  Ta  Ta3  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  0.316  0.066  0.624  1.0
  O  O7  1  0.316  0.692  0.249  1.0
  O  O8  1  0.308  0.058  0.250  1.0
  O  O9  1  0.942  0.692  0.876  1.0
  O  O10  1  0.942  0.066  0.251  1.0
  O  O11  1  0.930  0.680  0.250  1.0
  O  O12  1  0.684  0.934  0.376  1.0
  O  O13  1  0.684  0.308  0.751  1.0
  O  O14  1  0.692  0.942  0.750  1.0
  O  O15  1  0.058  0.308  0.124  1.0
  O  O16  1  0.058  0.934  0.749  1.0
  O  O17  1  0.070  0.320  0.750  1.0
[/CIF]
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