The structure described by Na3LiWO5 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-14°. In the third Na site, Na(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent W(1)O6 octahedra, and edges with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. Li(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 square pyramids that share corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 13-79°. W(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and one W(1) atom to form distorted ONa4W trigonal bipyramids that share  a cornercorner with one O(3)Na3Li2W octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with three equivalent O(4)Na4LiW octahedra, corners with three equivalent O(5)Na4LiW octahedra,  an edgeedge with one O(3)Na3Li2W octahedra,  an edgeedge with one O(2)Na3LiW2 octahedra, edges with two equivalent O(4)Na4LiW octahedra, edges with two equivalent O(5)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-83°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(3), one Li(1), and two equivalent W(1) atoms to form distorted ONa3LiW2 octahedra that share  a cornercorner with one O(5)Na4LiW octahedra, corners with two equivalent O(3)Na3Li2W octahedra, corners with two equivalent O(4)Na4LiW octahedra, corners with two equivalent O(1)Na4W trigonal bipyramids, edges with two equivalent O(2)Na3LiW2 octahedra, edges with two equivalent O(4)Na4LiW octahedra, edges with three equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(5)Na4LiW octahedra, and  an edgeedge with one O(1)Na4W trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-13°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(3), two equivalent Li(1), and one W(1) atom to form distorted ONa3Li2W octahedra that share  a cornercorner with one O(4)Na4LiW octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with two equivalent O(5)Na4LiW octahedra,  a cornercorner with one O(1)Na4W trigonal bipyramid, edges with two equivalent O(3)Na3Li2W octahedra, edges with two equivalent O(5)Na4LiW octahedra, edges with three equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(4)Na4LiW octahedra, and  an edgeedge with one O(1)Na4W trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Li(1), and one W(1) atom to form distorted ONa4LiW octahedra that share  a cornercorner with one O(3)Na3Li2W octahedra,  a cornercorner with one O(5)Na4LiW octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with three equivalent O(1)Na4W trigonal bipyramids,  an edgeedge with one O(4)Na4LiW octahedra, edges with two equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(5)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-17°. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Li(1), and one W(1) atom to form distorted ONa4LiW octahedra that share  a cornercorner with one O(2)Na3LiW2 octahedra,  a cornercorner with one O(4)Na4LiW octahedra, corners with two equivalent O(3)Na3Li2W octahedra, corners with three equivalent O(1)Na4W trigonal bipyramids,  an edgeedge with one O(5)Na4LiW octahedra, edges with two equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(4)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-16°. is represented by the CIF file [CIF]
data_Na3LiWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   6.109
_cell_length_c   7.674
_cell_angle_alpha   76.513
_cell_angle_beta   71.503
_cell_angle_gamma   73.429
_symmetry_Int_Tables_number   1
_cell_volume   240.670
_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  0.703  0.049  0.596  1.0
  Na  Na1  1  0.323  0.446  0.387  1.0
  Na  Na2  1  0.520  0.745  0.989  1.0
  Na  Na3  1  0.677  0.554  0.613  1.0
  Na  Na4  1  0.297  0.951  0.404  1.0
  Na  Na5  1  0.480  0.255  0.011  1.0
  Li  Li6  1  0.886  0.360  0.155  1.0
  Li  Li7  1  0.114  0.640  0.845  1.0
  W  W8  1  0.101  0.160  0.797  1.0
  W  W9  1  0.899  0.840  0.203  1.0
  O  O10  1  0.012  0.228  0.573  1.0
  O  O11  1  0.849  0.947  0.928  1.0
  O  O12  1  0.845  0.421  0.893  1.0
  O  O13  1  0.646  0.666  0.272  1.0
  O  O14  1  0.988  0.772  0.427  1.0
  O  O15  1  0.350  0.879  0.726  1.0
  O  O16  1  0.650  0.121  0.274  1.0
  O  O17  1  0.151  0.053  0.072  1.0
  O  O18  1  0.155  0.579  0.107  1.0
  O  O19  1  0.354  0.334  0.728  1.0
[/CIF]
.
The structure described by Na3LiWO5 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms. In the second Na site, Na(2) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Na(3)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with three equivalent Li(1)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-14°. In the third Na site, Na(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, corners with two equivalent Li(1)O5 square pyramids, edges with two equivalent Na(2)O6 octahedra, edges with two equivalent Na(3)O6 octahedra, edges with three equivalent W(1)O6 octahedra, and edges with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. Li(1) is bonded to one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form LiO5 square pyramids that share corners with two equivalent Na(3)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  an edgeedge with one Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, edges with three equivalent W(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 13-79°. W(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form WO6 octahedra that share corners with two equivalent Na(2)O6 octahedra, corners with two equivalent Na(3)O6 octahedra,  an edgeedge with one W(1)O6 octahedra, edges with two equivalent Na(2)O6 octahedra, edges with three equivalent Na(3)O6 octahedra, and edges with three equivalent Li(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Na(2), and one W(1) atom to form distorted ONa4W trigonal bipyramids that share  a cornercorner with one O(3)Na3Li2W octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with three equivalent O(4)Na4LiW octahedra, corners with three equivalent O(5)Na4LiW octahedra,  an edgeedge with one O(3)Na3Li2W octahedra,  an edgeedge with one O(2)Na3LiW2 octahedra, edges with two equivalent O(4)Na4LiW octahedra, edges with two equivalent O(5)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-83°. In the second O site, O(2) is bonded to one Na(1), two equivalent Na(3), one Li(1), and two equivalent W(1) atoms to form distorted ONa3LiW2 octahedra that share  a cornercorner with one O(5)Na4LiW octahedra, corners with two equivalent O(3)Na3Li2W octahedra, corners with two equivalent O(4)Na4LiW octahedra, corners with two equivalent O(1)Na4W trigonal bipyramids, edges with two equivalent O(2)Na3LiW2 octahedra, edges with two equivalent O(4)Na4LiW octahedra, edges with three equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(5)Na4LiW octahedra, and  an edgeedge with one O(1)Na4W trigonal bipyramid. The corner-sharing octahedral tilt angles range from 8-13°. In the third O site, O(3) is bonded to one Na(2), two equivalent Na(3), two equivalent Li(1), and one W(1) atom to form distorted ONa3Li2W octahedra that share  a cornercorner with one O(4)Na4LiW octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with two equivalent O(5)Na4LiW octahedra,  a cornercorner with one O(1)Na4W trigonal bipyramid, edges with two equivalent O(3)Na3Li2W octahedra, edges with two equivalent O(5)Na4LiW octahedra, edges with three equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(4)Na4LiW octahedra, and  an edgeedge with one O(1)Na4W trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-17°. In the fourth O site, O(4) is bonded to one Na(1), one Na(3), two equivalent Na(2), one Li(1), and one W(1) atom to form distorted ONa4LiW octahedra that share  a cornercorner with one O(3)Na3Li2W octahedra,  a cornercorner with one O(5)Na4LiW octahedra, corners with two equivalent O(2)Na3LiW2 octahedra, corners with three equivalent O(1)Na4W trigonal bipyramids,  an edgeedge with one O(4)Na4LiW octahedra, edges with two equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(5)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-17°. In the fifth O site, O(5) is bonded to one Na(2), one Na(3), two equivalent Na(1), one Li(1), and one W(1) atom to form distorted ONa4LiW octahedra that share  a cornercorner with one O(2)Na3LiW2 octahedra,  a cornercorner with one O(4)Na4LiW octahedra, corners with two equivalent O(3)Na3Li2W octahedra, corners with three equivalent O(1)Na4W trigonal bipyramids,  an edgeedge with one O(5)Na4LiW octahedra, edges with two equivalent O(3)Na3Li2W octahedra, edges with three equivalent O(2)Na3LiW2 octahedra, edges with three equivalent O(4)Na4LiW octahedra, and edges with two equivalent O(1)Na4W trigonal bipyramids. The corner-sharing octahedral tilt angles range from 6-16°. is represented by the CIF file [CIF]
data_Na3LiWO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.719
_cell_length_b   6.109
_cell_length_c   7.674
_cell_angle_alpha   76.513
_cell_angle_beta   71.503
_cell_angle_gamma   73.429
_symmetry_Int_Tables_number   1
_cell_volume   240.670
_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  0.703  0.049  0.596  1.0
  Na  Na1  1  0.323  0.446  0.387  1.0
  Na  Na2  1  0.520  0.745  0.989  1.0
  Na  Na3  1  0.677  0.554  0.613  1.0
  Na  Na4  1  0.297  0.951  0.404  1.0
  Na  Na5  1  0.480  0.255  0.011  1.0
  Li  Li6  1  0.886  0.360  0.155  1.0
  Li  Li7  1  0.114  0.640  0.845  1.0
  W  W8  1  0.101  0.160  0.797  1.0
  W  W9  1  0.899  0.840  0.203  1.0
  O  O10  1  0.012  0.228  0.573  1.0
  O  O11  1  0.849  0.947  0.928  1.0
  O  O12  1  0.845  0.421  0.893  1.0
  O  O13  1  0.646  0.666  0.272  1.0
  O  O14  1  0.988  0.772  0.427  1.0
  O  O15  1  0.350  0.879  0.726  1.0
  O  O16  1  0.650  0.121  0.274  1.0
  O  O17  1  0.151  0.053  0.072  1.0
  O  O18  1  0.155  0.579  0.107  1.0
  O  O19  1  0.354  0.334  0.728  1.0
[/CIF]
.