The compound described by NaLi(WO3)4 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Na(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1) and 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 W(1) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.406
_cell_length_c   7.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.827
_symmetry_Int_Tables_number   1
_cell_volume   225.579
_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  0.985  0.015  0.000  1.0
  Li  Li1  1  0.515  0.485  0.500  1.0
  W  W2  1  0.498  1.000  0.251  1.0
  W  W3  1  0.498  1.000  0.749  1.0
  W  W4  1  0.000  0.502  0.749  1.0
  W  W5  1  0.000  0.502  0.251  1.0
  O  O6  1  0.204  0.205  0.247  1.0
  O  O7  1  0.795  0.796  0.247  1.0
  O  O8  1  0.795  0.796  0.753  1.0
  O  O9  1  0.204  0.205  0.753  1.0
  O  O10  1  0.303  0.697  0.302  1.0
  O  O11  1  0.711  0.289  0.212  1.0
  O  O12  1  0.711  0.289  0.788  1.0
  O  O13  1  0.303  0.697  0.698  1.0
  O  O14  1  0.461  0.954  0.000  1.0
  O  O15  1  0.528  0.066  0.500  1.0
  O  O16  1  0.046  0.539  0.000  1.0
  O  O17  1  0.934  0.472  0.500  1.0
[/CIF]
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The compound described by NaLi(WO3)4 crystallizes in the orthorhombic Amm2 space group. Na(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. W(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Na(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent W(1) atoms. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Na(1) and 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 W(1) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1) and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLi(WO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.406
_cell_length_b   5.406
_cell_length_c   7.719
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.827
_symmetry_Int_Tables_number   1
_cell_volume   225.579
_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  0.985  0.015  0.000  1.0
  Li  Li1  1  0.515  0.485  0.500  1.0
  W  W2  1  0.498  1.000  0.251  1.0
  W  W3  1  0.498  1.000  0.749  1.0
  W  W4  1  0.000  0.502  0.749  1.0
  W  W5  1  0.000  0.502  0.251  1.0
  O  O6  1  0.204  0.205  0.247  1.0
  O  O7  1  0.795  0.796  0.247  1.0
  O  O8  1  0.795  0.796  0.753  1.0
  O  O9  1  0.204  0.205  0.753  1.0
  O  O10  1  0.303  0.697  0.302  1.0
  O  O11  1  0.711  0.289  0.212  1.0
  O  O12  1  0.711  0.289  0.788  1.0
  O  O13  1  0.303  0.697  0.698  1.0
  O  O14  1  0.461  0.954  0.000  1.0
  O  O15  1  0.528  0.066  0.500  1.0
  O  O16  1  0.046  0.539  0.000  1.0
  O  O17  1  0.934  0.472  0.500  1.0
[/CIF]
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