The compound described by NaTaWO7 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 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 Ta(1)O6 octahedra. Ta(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(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 38-41°. 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 Ta(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 Ta(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 Ta(1) atoms. is represented by the CIF card [CIF]
data_NaTaWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.452
_cell_length_b   7.452
_cell_length_c   7.452
_cell_angle_alpha   120.474
_cell_angle_beta   120.466
_cell_angle_gamma   89.188
_symmetry_Int_Tables_number   1
_cell_volume   290.531
_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  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  W  W5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.855  0.605  0.250  1.0
  O  O7  1  0.145  0.395  0.750  1.0
  O  O8  1  0.192  0.316  0.252  1.0
  O  O9  1  0.565  0.316  0.624  1.0
  O  O10  1  0.555  0.305  0.250  1.0
  O  O11  1  0.565  0.941  0.248  1.0
  O  O12  1  0.192  0.941  0.876  1.0
  O  O13  1  0.185  0.935  0.250  1.0
  O  O14  1  0.808  0.684  0.748  1.0
  O  O15  1  0.435  0.684  0.376  1.0
  O  O16  1  0.445  0.695  0.750  1.0
  O  O17  1  0.435  0.059  0.752  1.0
  O  O18  1  0.808  0.059  0.124  1.0
  O  O19  1  0.815  0.065  0.750  1.0
[/CIF]
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The compound described by NaTaWO7 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 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 Ta(1)O6 octahedra. Ta(1) is bonded to two equivalent O(4) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(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 38-41°. 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 Ta(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 Ta(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 Ta(1) atoms. is represented by the CIF card [CIF]
data_NaTaWO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.452
_cell_length_b   7.452
_cell_length_c   7.452
_cell_angle_alpha   120.474
_cell_angle_beta   120.466
_cell_angle_gamma   89.188
_symmetry_Int_Tables_number   1
_cell_volume   290.531
_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  0.000  0.500  1.0
  Na  Na1  1  0.000  0.500  0.000  1.0
  Ta  Ta2  1  0.500  0.000  0.500  1.0
  Ta  Ta3  1  0.000  0.000  0.000  1.0
  W  W4  1  0.500  0.500  0.500  1.0
  W  W5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.855  0.605  0.250  1.0
  O  O7  1  0.145  0.395  0.750  1.0
  O  O8  1  0.192  0.316  0.252  1.0
  O  O9  1  0.565  0.316  0.624  1.0
  O  O10  1  0.555  0.305  0.250  1.0
  O  O11  1  0.565  0.941  0.248  1.0
  O  O12  1  0.192  0.941  0.876  1.0
  O  O13  1  0.185  0.935  0.250  1.0
  O  O14  1  0.808  0.684  0.748  1.0
  O  O15  1  0.435  0.684  0.376  1.0
  O  O16  1  0.445  0.695  0.750  1.0
  O  O17  1  0.435  0.059  0.752  1.0
  O  O18  1  0.808  0.059  0.124  1.0
  O  O19  1  0.815  0.065  0.750  1.0
[/CIF]
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