The compound described by LiNaV2O6 crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. Li(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   5.938
_cell_angle_alpha   73.232
_cell_angle_beta   73.232
_cell_angle_gamma   85.552
_symmetry_Int_Tables_number   1
_cell_volume   291.658
_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  0.902  0.098  0.750  1.0
  Na  Na1  1  0.098  0.902  0.250  1.0
  Li  Li2  1  0.774  0.226  0.250  1.0
  Li  Li3  1  0.226  0.774  0.750  1.0
  V  V4  1  0.792  0.612  0.797  1.0
  V  V5  1  0.388  0.208  0.703  1.0
  V  V6  1  0.208  0.388  0.203  1.0
  V  V7  1  0.612  0.792  0.297  1.0
  O  O8  1  0.978  0.767  0.678  1.0
  O  O9  1  0.233  0.022  0.822  1.0
  O  O10  1  0.022  0.233  0.322  1.0
  O  O11  1  0.767  0.978  0.178  1.0
  O  O12  1  0.865  0.386  0.883  1.0
  O  O13  1  0.614  0.135  0.617  1.0
  O  O14  1  0.135  0.614  0.117  1.0
  O  O15  1  0.386  0.865  0.383  1.0
  O  O16  1  0.666  0.637  0.567  1.0
  O  O17  1  0.363  0.334  0.933  1.0
  O  O18  1  0.334  0.363  0.433  1.0
  O  O19  1  0.637  0.666  0.067  1.0
[/CIF]
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The compound described by LiNaV2O6 crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. Li(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with three equivalent Na(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one V(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Li(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiV2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.319
_cell_length_b   7.319
_cell_length_c   5.938
_cell_angle_alpha   73.232
_cell_angle_beta   73.232
_cell_angle_gamma   85.552
_symmetry_Int_Tables_number   1
_cell_volume   291.658
_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  0.902  0.098  0.750  1.0
  Na  Na1  1  0.098  0.902  0.250  1.0
  Li  Li2  1  0.774  0.226  0.250  1.0
  Li  Li3  1  0.226  0.774  0.750  1.0
  V  V4  1  0.792  0.612  0.797  1.0
  V  V5  1  0.388  0.208  0.703  1.0
  V  V6  1  0.208  0.388  0.203  1.0
  V  V7  1  0.612  0.792  0.297  1.0
  O  O8  1  0.978  0.767  0.678  1.0
  O  O9  1  0.233  0.022  0.822  1.0
  O  O10  1  0.022  0.233  0.322  1.0
  O  O11  1  0.767  0.978  0.178  1.0
  O  O12  1  0.865  0.386  0.883  1.0
  O  O13  1  0.614  0.135  0.617  1.0
  O  O14  1  0.135  0.614  0.117  1.0
  O  O15  1  0.386  0.865  0.383  1.0
  O  O16  1  0.666  0.637  0.567  1.0
  O  O17  1  0.363  0.334  0.933  1.0
  O  O18  1  0.334  0.363  0.433  1.0
  O  O19  1  0.637  0.666  0.067  1.0
[/CIF]
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